
# CIF file generated by ioChem-BD, see http://www.iochem-bd.org
data_I
_chemical_name_common 'calculation.position.1'
_cell_length_a 3.621262
_cell_length_b 3.621262
_cell_length_c 3.621262
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
Cu1     Cu   0 0 0 1.000
Cu2     Cu   0 0.5 0.5 1.000
Cu3     Cu   0.5 0 0.5 1.000
Cu4     Cu   0.5 0.5 0 1.000

# CIF file generated by ioChem-BD, see http://www.iochem-bd.org
data_I
_chemical_name_common 'calculation.position.2'
_cell_length_a 3.621262
_cell_length_b 3.621262
_cell_length_c 3.621262
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
Cu1     Cu   0.00069 0.99691 0.99881 1.000
Cu2     Cu   0.00034 0.50084 0.4994 1.000
Cu3     Cu   0.49993 0.00017 0.49993 1.000
Cu4     Cu   0.50033 0.49483 0.0038 1.000

# CIF file generated by ioChem-BD, see http://www.iochem-bd.org
data_I
_chemical_name_common 'calculation.position.3'
_cell_length_a 3.621262
_cell_length_b 3.621262
_cell_length_c 3.621262
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
Cu1     Cu   0.00138 0.99383 0.99763 1.000
Cu2     Cu   0.00068 0.50165 0.49882 1.000
Cu3     Cu   0.49986 0.00032 0.49988 1.000
Cu4     Cu   0.50066 0.4897 0.00756 1.000

# CIF file generated by ioChem-BD, see http://www.iochem-bd.org
data_I
_chemical_name_common 'calculation.position.4'
_cell_length_a 3.621262
_cell_length_b 3.621262
_cell_length_c 3.621262
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
Cu1     Cu   0.00205 0.99076 0.99646 1.000
Cu2     Cu   0.00101 0.50243 0.49827 1.000
Cu3     Cu   0.4998 0.00043 0.49985 1.000
Cu4     Cu   0.50099 0.48462 0.01125 1.000

# CIF file generated by ioChem-BD, see http://www.iochem-bd.org
data_I
_chemical_name_common 'calculation.position.5'
_cell_length_a 3.621262
_cell_length_b 3.621262
_cell_length_c 3.621262
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
Cu1     Cu   0.00271 0.98771 0.99531 1.000
Cu2     Cu   0.00134 0.50315 0.49778 1.000
Cu3     Cu   0.49976 0.00047 0.49986 1.000
Cu4     Cu   0.50133 0.47965 0.01483 1.000

# CIF file generated by ioChem-BD, see http://www.iochem-bd.org
data_I
_chemical_name_common 'calculation.position.6'
_cell_length_a 3.621262
_cell_length_b 3.621262
_cell_length_c 3.621262
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
Cu1     Cu   0.00336 0.98469 0.99419 1.000
Cu2     Cu   0.00166 0.50378 0.49735 1.000
Cu3     Cu   0.49975 0.00042 0.49992 1.000
Cu4     Cu   0.50167 0.47479 0.01828 1.000

# CIF file generated by ioChem-BD, see http://www.iochem-bd.org
data_I
_chemical_name_common 'calculation.position.7'
_cell_length_a 3.621262
_cell_length_b 3.621262
_cell_length_c 3.621262
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
Cu1     Cu   0.00398 0.9817 0.9931 1.000
Cu2     Cu   0.00197 0.50432 0.497 1.000
Cu3     Cu   0.49976 0.00026 0.50005 1.000
Cu4     Cu   0.50202 0.47008 0.02155 1.000

# CIF file generated by ioChem-BD, see http://www.iochem-bd.org
data_I
_chemical_name_common 'calculation.position.8'
_cell_length_a 3.621262
_cell_length_b 3.621262
_cell_length_c 3.621262
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
Cu1     Cu   0.00458 0.97874 0.99205 1.000
Cu2     Cu   0.00228 0.50475 0.49674 1.000
Cu3     Cu   0.4998 0.99998 0.50025 1.000
Cu4     Cu   0.50239 0.46554 0.02463 1.000

# CIF file generated by ioChem-BD, see http://www.iochem-bd.org
data_I
_chemical_name_common 'calculation.position.9'
_cell_length_a 3.621262
_cell_length_b 3.621262
_cell_length_c 3.621262
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
Cu1     Cu   0.00514 0.9758 0.99104 1.000
Cu2     Cu   0.00257 0.50505 0.49658 1.000
Cu3     Cu   0.49987 0.99955 0.50054 1.000
Cu4     Cu   0.50276 0.46118 0.02748 1.000

# CIF file generated by ioChem-BD, see http://www.iochem-bd.org
data_I
_chemical_name_common 'calculation.position.10'
_cell_length_a 3.621262
_cell_length_b 3.621262
_cell_length_c 3.621262
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
Cu1     Cu   0.00568 0.9729 0.99009 1.000
Cu2     Cu   0.00286 0.5052 0.49653 1.000
Cu3     Cu   0.49999 0.99895 0.50094 1.000
Cu4     Cu   0.50316 0.45703 0.03009 1.000

# CIF file generated by ioChem-BD, see http://www.iochem-bd.org
data_I
_chemical_name_common 'calculation.position.11'
_cell_length_a 3.621262
_cell_length_b 3.621262
_cell_length_c 3.621262
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
Cu1     Cu   0.00619 0.97003 0.9892 1.000
Cu2     Cu   0.00313 0.50517 0.4966 1.000
Cu3     Cu   0.50014 0.99816 0.50145 1.000
Cu4     Cu   0.50356 0.45308 0.03244 1.000

# CIF file generated by ioChem-BD, see http://www.iochem-bd.org
data_I
_chemical_name_common 'calculation.position.12'
_cell_length_a 3.621262
_cell_length_b 3.621262
_cell_length_c 3.621262
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
Cu1     Cu   0.00667 0.96718 0.98838 1.000
Cu2     Cu   0.00341 0.50496 0.4968 1.000
Cu3     Cu   0.50034 0.99715 0.5021 1.000
Cu4     Cu   0.50399 0.44935 0.0345 1.000

# CIF file generated by ioChem-BD, see http://www.iochem-bd.org
data_I
_chemical_name_common 'calculation.position.13'
_cell_length_a 3.621262
_cell_length_b 3.621262
_cell_length_c 3.621262
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
Cu1     Cu   0.00713 0.96435 0.98764 1.000
Cu2     Cu   0.00368 0.50454 0.49713 1.000
Cu3     Cu   0.50059 0.9959 0.50288 1.000
Cu4     Cu   0.50445 0.44583 0.03627 1.000

# CIF file generated by ioChem-BD, see http://www.iochem-bd.org
data_I
_chemical_name_common 'calculation.position.14'
_cell_length_a 3.621262
_cell_length_b 3.621262
_cell_length_c 3.621262
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
Cu1     Cu   0.00755 0.96153 0.98698 1.000
Cu2     Cu   0.00395 0.50389 0.49759 1.000
Cu3     Cu   0.50089 0.99439 0.50382 1.000
Cu4     Cu   0.50492 0.44254 0.03774 1.000

# CIF file generated by ioChem-BD, see http://www.iochem-bd.org
data_I
_chemical_name_common 'calculation.position.15'
_cell_length_a 3.621262
_cell_length_b 3.621262
_cell_length_c 3.621262
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
Cu1     Cu   0.00795 0.95871 0.98643 1.000
Cu2     Cu   0.00422 0.50296 0.49819 1.000
Cu3     Cu   0.50125 0.99258 0.50493 1.000
Cu4     Cu   0.50543 0.43947 0.03888 1.000

# CIF file generated by ioChem-BD, see http://www.iochem-bd.org
data_I
_chemical_name_common 'calculation.position.16'
_cell_length_a 3.621262
_cell_length_b 3.621262
_cell_length_c 3.621262
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
Cu1     Cu   0.00832 0.95587 0.986 1.000
Cu2     Cu   0.0045 0.50174 0.49895 1.000
Cu3     Cu   0.50167 0.99046 0.50622 1.000
Cu4     Cu   0.50597 0.43661 0.03969 1.000

# CIF file generated by ioChem-BD, see http://www.iochem-bd.org
data_I
_chemical_name_common 'calculation.position.17'
_cell_length_a 3.621262
_cell_length_b 3.621262
_cell_length_c 3.621262
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
Cu1     Cu   0.00867 0.95302 0.9857 1.000
Cu2     Cu   0.00478 0.50019 0.49985 1.000
Cu3     Cu   0.50216 0.98798 0.50768 1.000
Cu4     Cu   0.50654 0.43396 0.04016 1.000

# CIF file generated by ioChem-BD, see http://www.iochem-bd.org
data_I
_chemical_name_common 'calculation.position.18'
_cell_length_a 3.621262
_cell_length_b 3.621262
_cell_length_c 3.621262
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
Cu1     Cu   0.009 0.95013 0.98557 1.000
Cu2     Cu   0.00508 0.49827 0.50091 1.000
Cu3     Cu   0.50272 0.98512 0.50934 1.000
Cu4     Cu   0.50714 0.43152 0.04028 1.000

# CIF file generated by ioChem-BD, see http://www.iochem-bd.org
data_I
_chemical_name_common 'calculation.position.19'
_cell_length_a 3.621262
_cell_length_b 3.621262
_cell_length_c 3.621262
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
Cu1     Cu   0.00931 0.94721 0.98562 1.000
Cu2     Cu   0.00539 0.49593 0.50212 1.000
Cu3     Cu   0.50335 0.98186 0.51118 1.000
Cu4     Cu   0.50779 0.42928 0.04006 1.000

# CIF file generated by ioChem-BD, see http://www.iochem-bd.org
data_I
_chemical_name_common 'calculation.position.20'
_cell_length_a 3.621262
_cell_length_b 3.621262
_cell_length_c 3.621262
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
Cu1     Cu   0.00961 0.94423 0.98589 1.000
Cu2     Cu   0.00573 0.49312 0.5035 1.000
Cu3     Cu   0.50408 0.97815 0.51322 1.000
Cu4     Cu   0.50848 0.42724 0.03947 1.000

# CIF file generated by ioChem-BD, see http://www.iochem-bd.org
data_I
_chemical_name_common 'calculation.position.21'
_cell_length_a 3.621262
_cell_length_b 3.621262
_cell_length_c 3.621262
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
Cu1     Cu   0.00989 0.9412 0.98641 1.000
Cu2     Cu   0.0061 0.4898 0.50503 1.000
Cu3     Cu   0.50488 0.97398 0.51543 1.000
Cu4     Cu   0.50921 0.42537 0.03852 1.000

# CIF file generated by ioChem-BD, see http://www.iochem-bd.org
data_I
_chemical_name_common 'calculation.position.22'
_cell_length_a 3.621262
_cell_length_b 3.621262
_cell_length_c 3.621262
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
Cu1     Cu   0.01018 0.93811 0.9872 1.000
Cu2     Cu   0.00651 0.48591 0.50672 1.000
Cu3     Cu   0.50578 0.96934 0.51781 1.000
Cu4     Cu   0.50999 0.42368 0.03722 1.000

# CIF file generated by ioChem-BD, see http://www.iochem-bd.org
data_I
_chemical_name_common 'calculation.position.23'
_cell_length_a 3.621262
_cell_length_b 3.621262
_cell_length_c 3.621262
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
Cu1     Cu   0.01045 0.93497 0.98831 1.000
Cu2     Cu   0.00696 0.48143 0.50856 1.000
Cu3     Cu   0.50677 0.96421 0.52032 1.000
Cu4     Cu   0.5108 0.42215 0.03558 1.000

# CIF file generated by ioChem-BD, see http://www.iochem-bd.org
data_I
_chemical_name_common 'calculation.position.24'
_cell_length_a 3.621262
_cell_length_b 3.621262
_cell_length_c 3.621262
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
Cu1     Cu   0.01073 0.93179 0.98976 1.000
Cu2     Cu   0.00746 0.47634 0.51052 1.000
Cu3     Cu   0.50784 0.95862 0.52294 1.000
Cu4     Cu   0.51164 0.42078 0.03363 1.000

# CIF file generated by ioChem-BD, see http://www.iochem-bd.org
data_I
_chemical_name_common 'calculation.position.25'
_cell_length_a 3.621262
_cell_length_b 3.621262
_cell_length_c 3.621262
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
Cu1     Cu   0.01101 0.92859 0.99156 1.000
Cu2     Cu   0.00801 0.47065 0.51258 1.000
Cu3     Cu   0.50899 0.9526 0.52563 1.000
Cu4     Cu   0.51252 0.41956 0.03141 1.000

# CIF file generated by ioChem-BD, see http://www.iochem-bd.org
data_I
_chemical_name_common 'calculation.position.26'
_cell_length_a 3.621262
_cell_length_b 3.621262
_cell_length_c 3.621262
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
Cu1     Cu   0.01131 0.9254 0.99372 1.000
Cu2     Cu   0.00861 0.4644 0.51471 1.000
Cu3     Cu   0.51019 0.94623 0.5283 1.000
Cu4     Cu   0.5134 0.41848 0.02897 1.000

# CIF file generated by ioChem-BD, see http://www.iochem-bd.org
data_I
_chemical_name_common 'calculation.position.27'
_cell_length_a 3.621262
_cell_length_b 3.621262
_cell_length_c 3.621262
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
Cu1     Cu   0.01161 0.92226 0.99623 1.000
Cu2     Cu   0.00925 0.45766 0.51686 1.000
Cu3     Cu   0.51144 0.9396 0.53091 1.000
Cu4     Cu   0.51429 0.41752 0.02639 1.000

# CIF file generated by ioChem-BD, see http://www.iochem-bd.org
data_I
_chemical_name_common 'calculation.position.28'
_cell_length_a 3.621262
_cell_length_b 3.621262
_cell_length_c 3.621262
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
Cu1     Cu   0.01194 0.91922 0.99904 1.000
Cu2     Cu   0.00994 0.45057 0.51898 1.000
Cu3     Cu   0.5127 0.93286 0.53337 1.000
Cu4     Cu   0.51515 0.41666 0.02375 1.000

# CIF file generated by ioChem-BD, see http://www.iochem-bd.org
data_I
_chemical_name_common 'calculation.position.29'
_cell_length_a 3.621262
_cell_length_b 3.621262
_cell_length_c 3.621262
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
Cu1     Cu   0.01229 0.91632 0.0021 1.000
Cu2     Cu   0.01067 0.44327 0.52101 1.000
Cu3     Cu   0.51393 0.92614 0.53562 1.000
Cu4     Cu   0.51597 0.41588 0.02114 1.000

# CIF file generated by ioChem-BD, see http://www.iochem-bd.org
data_I
_chemical_name_common 'calculation.position.30'
_cell_length_a 3.621262
_cell_length_b 3.621262
_cell_length_c 3.621262
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
Cu1     Cu   0.01265 0.91361 0.00535 1.000
Cu2     Cu   0.01142 0.43591 0.5229 1.000
Cu3     Cu   0.51512 0.9196 0.53761 1.000
Cu4     Cu   0.51673 0.41517 0.01866 1.000

# CIF file generated by ioChem-BD, see http://www.iochem-bd.org
data_I
_chemical_name_common 'calculation.position.31'
_cell_length_a 3.621262
_cell_length_b 3.621262
_cell_length_c 3.621262
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
Cu1     Cu   0.01303 0.91111 0.0087 1.000
Cu2     Cu   0.01218 0.42866 0.52462 1.000
Cu3     Cu   0.51623 0.91336 0.53929 1.000
Cu4     Cu   0.51743 0.41449 0.01638 1.000

# CIF file generated by ioChem-BD, see http://www.iochem-bd.org
data_I
_chemical_name_common 'calculation.position.32'
_cell_length_a 3.621262
_cell_length_b 3.621262
_cell_length_c 3.621262
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
Cu1     Cu   0.01343 0.90884 0.01208 1.000
Cu2     Cu   0.01294 0.42164 0.52614 1.000
Cu3     Cu   0.51725 0.90752 0.54064 1.000
Cu4     Cu   0.51804 0.41383 0.01436 1.000

# CIF file generated by ioChem-BD, see http://www.iochem-bd.org
data_I
_chemical_name_common 'calculation.position.33'
_cell_length_a 3.621262
_cell_length_b 3.621262
_cell_length_c 3.621262
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
Cu1     Cu   0.01383 0.90679 0.01544 1.000
Cu2     Cu   0.01369 0.41495 0.52743 1.000
Cu3     Cu   0.51817 0.90214 0.54166 1.000
Cu4     Cu   0.51857 0.41315 0.01264 1.000

# CIF file generated by ioChem-BD, see http://www.iochem-bd.org
data_I
_chemical_name_common 'calculation.position.34'
_cell_length_a 3.621262
_cell_length_b 3.621262
_cell_length_c 3.621262
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
Cu1     Cu   0.01426 0.90496 0.01872 1.000
Cu2     Cu   0.01443 0.40866 0.52851 1.000
Cu3     Cu   0.51897 0.89728 0.54236 1.000
Cu4     Cu   0.51902 0.41245 0.01125 1.000

# CIF file generated by ioChem-BD, see http://www.iochem-bd.org
data_I
_chemical_name_common 'calculation.position.35'
_cell_length_a 3.621262
_cell_length_b 3.621262
_cell_length_c 3.621262
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
Cu1     Cu   0.01469 0.90333 0.02189 1.000
Cu2     Cu   0.01516 0.40281 0.52938 1.000
Cu3     Cu   0.51968 0.89293 0.54276 1.000
Cu4     Cu   0.51939 0.41169 0.01019 1.000

# CIF file generated by ioChem-BD, see http://www.iochem-bd.org
data_I
_chemical_name_common 'calculation.position.36'
_cell_length_a 3.621262
_cell_length_b 3.621262
_cell_length_c 3.621262
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
Cu1     Cu   0.01513 0.90187 0.02493 1.000
Cu2     Cu   0.01586 0.3974 0.53005 1.000
Cu3     Cu   0.52028 0.88907 0.54289 1.000
Cu4     Cu   0.5197 0.41087 0.00945 1.000

# CIF file generated by ioChem-BD, see http://www.iochem-bd.org
data_I
_chemical_name_common 'calculation.position.37'
_cell_length_a 3.621262
_cell_length_b 3.621262
_cell_length_c 3.621262
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
Cu1     Cu   0.01558 0.90056 0.02782 1.000
Cu2     Cu   0.01655 0.39243 0.53055 1.000
Cu3     Cu   0.52079 0.88568 0.54277 1.000
Cu4     Cu   0.51994 0.40997 0.00902 1.000

# CIF file generated by ioChem-BD, see http://www.iochem-bd.org
data_I
_chemical_name_common 'calculation.position.38'
_cell_length_a 3.621262
_cell_length_b 3.621262
_cell_length_c 3.621262
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
Cu1     Cu   0.01603 0.89936 0.03055 1.000
Cu2     Cu   0.01721 0.38788 0.53089 1.000
Cu3     Cu   0.52121 0.88272 0.54243 1.000
Cu4     Cu   0.52012 0.40899 0.00887 1.000

# CIF file generated by ioChem-BD, see http://www.iochem-bd.org
data_I
_chemical_name_common 'calculation.position.39'
_cell_length_a 3.621262
_cell_length_b 3.621262
_cell_length_c 3.621262
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
Cu1     Cu   0.01649 0.89826 0.03311 1.000
Cu2     Cu   0.01785 0.38371 0.5311 1.000
Cu3     Cu   0.52156 0.88015 0.54192 1.000
Cu4     Cu   0.52026 0.40792 0.00899 1.000

# CIF file generated by ioChem-BD, see http://www.iochem-bd.org
data_I
_chemical_name_common 'calculation.position.40'
_cell_length_a 3.621262
_cell_length_b 3.621262
_cell_length_c 3.621262
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
Cu1     Cu   0.01696 0.89722 0.03552 1.000
Cu2     Cu   0.01847 0.3799 0.53121 1.000
Cu3     Cu   0.52185 0.87792 0.54125 1.000
Cu4     Cu   0.52037 0.40676 0.00936 1.000

# CIF file generated by ioChem-BD, see http://www.iochem-bd.org
data_I
_chemical_name_common 'calculation.position.41'
_cell_length_a 3.621262
_cell_length_b 3.621262
_cell_length_c 3.621262
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
Cu1     Cu   0.01743 0.89622 0.03776 1.000
Cu2     Cu   0.01907 0.37643 0.53123 1.000
Cu3     Cu   0.52208 0.876 0.54044 1.000
Cu4     Cu   0.52044 0.4055 0.00994 1.000

# CIF file generated by ioChem-BD, see http://www.iochem-bd.org
data_I
_chemical_name_common 'calculation.position.42'
_cell_length_a 3.621262
_cell_length_b 3.621262
_cell_length_c 3.621262
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
Cu1     Cu   0.0179 0.89525 0.03985 1.000
Cu2     Cu   0.01965 0.37326 0.53119 1.000
Cu3     Cu   0.52227 0.87434 0.53954 1.000
Cu4     Cu   0.52049 0.40414 0.01073 1.000

# CIF file generated by ioChem-BD, see http://www.iochem-bd.org
data_I
_chemical_name_common 'calculation.position.43'
_cell_length_a 3.621262
_cell_length_b 3.621262
_cell_length_c 3.621262
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
Cu1     Cu   0.01838 0.89427 0.04178 1.000
Cu2     Cu   0.02021 0.37037 0.53109 1.000
Cu3     Cu   0.52241 0.87292 0.53854 1.000
Cu4     Cu   0.52052 0.40267 0.0117 1.000

# CIF file generated by ioChem-BD, see http://www.iochem-bd.org
data_I
_chemical_name_common 'calculation.position.44'
_cell_length_a 3.621262
_cell_length_b 3.621262
_cell_length_c 3.621262
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
Cu1     Cu   0.01886 0.89327 0.04355 1.000
Cu2     Cu   0.02076 0.36775 0.53096 1.000
Cu3     Cu   0.52251 0.8717 0.53748 1.000
Cu4     Cu   0.52054 0.40111 0.01283 1.000

# CIF file generated by ioChem-BD, see http://www.iochem-bd.org
data_I
_chemical_name_common 'calculation.position.45'
_cell_length_a 3.621262
_cell_length_b 3.621262
_cell_length_c 3.621262
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
Cu1     Cu   0.01935 0.89224 0.04517 1.000
Cu2     Cu   0.02129 0.36536 0.53082 1.000
Cu3     Cu   0.52259 0.87066 0.53638 1.000
Cu4     Cu   0.52056 0.39944 0.01412 1.000

# CIF file generated by ioChem-BD, see http://www.iochem-bd.org
data_I
_chemical_name_common 'calculation.position.46'
_cell_length_a 3.621262
_cell_length_b 3.621262
_cell_length_c 3.621262
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
Cu1     Cu   0.01984 0.89115 0.04662 1.000
Cu2     Cu   0.02181 0.36321 0.53067 1.000
Cu3     Cu   0.52264 0.86976 0.53524 1.000
Cu4     Cu   0.52057 0.39766 0.01554 1.000

# CIF file generated by ioChem-BD, see http://www.iochem-bd.org
data_I
_chemical_name_common 'calculation.position.47'
_cell_length_a 3.621262
_cell_length_b 3.621262
_cell_length_c 3.621262
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
Cu1     Cu   0.02033 0.88999 0.04792 1.000
Cu2     Cu   0.02231 0.36126 0.53054 1.000
Cu3     Cu   0.52268 0.86898 0.53409 1.000
Cu4     Cu   0.52058 0.39577 0.01708 1.000

# CIF file generated by ioChem-BD, see http://www.iochem-bd.org
data_I
_chemical_name_common 'calculation.position.48'
_cell_length_a 3.621262
_cell_length_b 3.621262
_cell_length_c 3.621262
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
Cu1     Cu   0.02083 0.88875 0.04905 1.000
Cu2     Cu   0.0228 0.35951 0.53044 1.000
Cu3     Cu   0.5227 0.8683 0.53293 1.000
Cu4     Cu   0.52061 0.39377 0.01874 1.000

# CIF file generated by ioChem-BD, see http://www.iochem-bd.org
data_I
_chemical_name_common 'calculation.position.49'
_cell_length_a 3.621262
_cell_length_b 3.621262
_cell_length_c 3.621262
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
Cu1     Cu   0.02133 0.8874 0.05001 1.000
Cu2     Cu   0.02327 0.35795 0.53038 1.000
Cu3     Cu   0.52272 0.86771 0.5318 1.000
Cu4     Cu   0.52064 0.39165 0.0205 1.000

# CIF file generated by ioChem-BD, see http://www.iochem-bd.org
data_I
_chemical_name_common 'calculation.position.50'
_cell_length_a 3.621262
_cell_length_b 3.621262
_cell_length_c 3.621262
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
Cu1     Cu   0.02184 0.88593 0.05079 1.000
Cu2     Cu   0.02373 0.35657 0.53037 1.000
Cu3     Cu   0.52273 0.86717 0.53068 1.000
Cu4     Cu   0.52069 0.38941 0.02236 1.000

# CIF file generated by ioChem-BD, see http://www.iochem-bd.org
data_I
_chemical_name_common 'calculation.position.51'
_cell_length_a 3.621262
_cell_length_b 3.621262
_cell_length_c 3.621262
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
Cu1     Cu   0.02235 0.88432 0.05139 1.000
Cu2     Cu   0.02418 0.35536 0.53043 1.000
Cu3     Cu   0.52275 0.86669 0.52961 1.000
Cu4     Cu   0.52076 0.38703 0.02431 1.000

# CIF file generated by ioChem-BD, see http://www.iochem-bd.org
data_I
_chemical_name_common 'calculation.position.52'
_cell_length_a 3.621262
_cell_length_b 3.621262
_cell_length_c 3.621262
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
Cu1     Cu   0.02287 0.88256 0.05179 1.000
Cu2     Cu   0.02462 0.35432 0.53057 1.000
Cu3     Cu   0.52277 0.86624 0.5286 1.000
Cu4     Cu   0.52085 0.3845 0.02634 1.000

# CIF file generated by ioChem-BD, see http://www.iochem-bd.org
data_I
_chemical_name_common 'calculation.position.53'
_cell_length_a 3.621262
_cell_length_b 3.621262
_cell_length_c 3.621262
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
Cu1     Cu   0.02339 0.88062 0.052 1.000
Cu2     Cu   0.02503 0.35344 0.5308 1.000
Cu3     Cu   0.5228 0.8658 0.52766 1.000
Cu4     Cu   0.52098 0.38182 0.02845 1.000

# CIF file generated by ioChem-BD, see http://www.iochem-bd.org
data_I
_chemical_name_common 'calculation.position.54'
_cell_length_a 3.621262
_cell_length_b 3.621262
_cell_length_c 3.621262
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
Cu1     Cu   0.02391 0.87848 0.05199 1.000
Cu2     Cu   0.02544 0.35271 0.53113 1.000
Cu3     Cu   0.52284 0.86536 0.52681 1.000
Cu4     Cu   0.52113 0.37896 0.03064 1.000

# CIF file generated by ioChem-BD, see http://www.iochem-bd.org
data_I
_chemical_name_common 'calculation.position.55'
_cell_length_a 3.621262
_cell_length_b 3.621262
_cell_length_c 3.621262
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
Cu1     Cu   0.02444 0.87613 0.05176 1.000
Cu2     Cu   0.02583 0.35213 0.53159 1.000
Cu3     Cu   0.5229 0.86491 0.52605 1.000
Cu4     Cu   0.52133 0.37592 0.03291 1.000

# CIF file generated by ioChem-BD, see http://www.iochem-bd.org
data_I
_chemical_name_common 'calculation.position.56'
_cell_length_a 3.621262
_cell_length_b 3.621262
_cell_length_c 3.621262
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
Cu1     Cu   0.02498 0.87355 0.0513 1.000
Cu2     Cu   0.0262 0.3517 0.53217 1.000
Cu3     Cu   0.52299 0.86441 0.52541 1.000
Cu4     Cu   0.52156 0.37268 0.03525 1.000

# CIF file generated by ioChem-BD, see http://www.iochem-bd.org
data_I
_chemical_name_common 'calculation.position.57'
_cell_length_a 3.621262
_cell_length_b 3.621262
_cell_length_c 3.621262
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
Cu1     Cu   0.02552 0.8707 0.0506 1.000
Cu2     Cu   0.02656 0.35141 0.53289 1.000
Cu3     Cu   0.52311 0.86387 0.52491 1.000
Cu4     Cu   0.52186 0.36921 0.03766 1.000

# CIF file generated by ioChem-BD, see http://www.iochem-bd.org
data_I
_chemical_name_common 'calculation.position.58'
_cell_length_a 3.621262
_cell_length_b 3.621262
_cell_length_c 3.621262
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
Cu1     Cu   0.02606 0.86757 0.04964 1.000
Cu2     Cu   0.0269 0.35124 0.53378 1.000
Cu3     Cu   0.52326 0.86326 0.52455 1.000
Cu4     Cu   0.5222 0.36551 0.04014 1.000

# CIF file generated by ioChem-BD, see http://www.iochem-bd.org
data_I
_chemical_name_common 'calculation.position.59'
_cell_length_a 3.621262
_cell_length_b 3.621262
_cell_length_c 3.621262
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
Cu1     Cu   0.02661 0.86413 0.04842 1.000
Cu2     Cu   0.02723 0.35121 0.53484 1.000
Cu3     Cu   0.52346 0.86255 0.52436 1.000
Cu4     Cu   0.52262 0.36155 0.04269 1.000

# CIF file generated by ioChem-BD, see http://www.iochem-bd.org
data_I
_chemical_name_common 'calculation.position.60'
_cell_length_a 3.621262
_cell_length_b 3.621262
_cell_length_c 3.621262
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
Cu1     Cu   0.02716 0.86036 0.04692 1.000
Cu2     Cu   0.02754 0.35128 0.53607 1.000
Cu3     Cu   0.5237 0.86174 0.52436 1.000
Cu4     Cu   0.52311 0.35731 0.0453 1.000

# CIF file generated by ioChem-BD, see http://www.iochem-bd.org
data_I
_chemical_name_common 'calculation.position.61'
_cell_length_a 3.621262
_cell_length_b 3.621262
_cell_length_c 3.621262
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
Cu1     Cu   0.02772 0.85625 0.04516 1.000
Cu2     Cu   0.02783 0.35146 0.53751 1.000
Cu3     Cu   0.524 0.86078 0.52457 1.000
Cu4     Cu   0.52368 0.35279 0.04796 1.000

# CIF file generated by ioChem-BD, see http://www.iochem-bd.org
data_I
_chemical_name_common 'calculation.position.62'
_cell_length_a 3.621262
_cell_length_b 3.621262
_cell_length_c 3.621262
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
Cu1     Cu   0.02828 0.85178 0.04311 1.000
Cu2     Cu   0.02811 0.35171 0.53914 1.000
Cu3     Cu   0.52436 0.85967 0.525 1.000
Cu4     Cu   0.52433 0.34798 0.05066 1.000

# CIF file generated by ioChem-BD, see http://www.iochem-bd.org
data_I
_chemical_name_common 'calculation.position.63'
_cell_length_a 3.621262
_cell_length_b 3.621262
_cell_length_c 3.621262
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
Cu1     Cu   0.02885 0.84695 0.04081 1.000
Cu2     Cu   0.02836 0.35203 0.54097 1.000
Cu3     Cu   0.52478 0.85837 0.52568 1.000
Cu4     Cu   0.52506 0.34289 0.0534 1.000

# CIF file generated by ioChem-BD, see http://www.iochem-bd.org
data_I
_chemical_name_common 'calculation.position.64'
_cell_length_a 3.621262
_cell_length_b 3.621262
_cell_length_c 3.621262
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
Cu1     Cu   0.02942 0.84178 0.03827 1.000
Cu2     Cu   0.0286 0.35237 0.54299 1.000
Cu3     Cu   0.52528 0.85688 0.52661 1.000
Cu4     Cu   0.52589 0.33752 0.05613 1.000

# CIF file generated by ioChem-BD, see http://www.iochem-bd.org
data_I
_chemical_name_common 'calculation.position.65'
_cell_length_a 3.621262
_cell_length_b 3.621262
_cell_length_c 3.621262
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
Cu1     Cu   0.02998 0.83629 0.03552 1.000
Cu2     Cu   0.02883 0.35271 0.54519 1.000
Cu3     Cu   0.52584 0.85516 0.5278 1.000
Cu4     Cu   0.52679 0.33191 0.05883 1.000

# CIF file generated by ioChem-BD, see http://www.iochem-bd.org
data_I
_chemical_name_common 'calculation.position.66'
_cell_length_a 3.621262
_cell_length_b 3.621262
_cell_length_c 3.621262
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
Cu1     Cu   0.03055 0.83054 0.03262 1.000
Cu2     Cu   0.02905 0.35301 0.54754 1.000
Cu3     Cu   0.52646 0.85321 0.52925 1.000
Cu4     Cu   0.52778 0.32612 0.06148 1.000

# CIF file generated by ioChem-BD, see http://www.iochem-bd.org
data_I
_chemical_name_common 'calculation.position.67'
_cell_length_a 3.621262
_cell_length_b 3.621262
_cell_length_c 3.621262
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
Cu1     Cu   0.03111 0.8246 0.02963 1.000
Cu2     Cu   0.02925 0.35322 0.55 1.000
Cu3     Cu   0.52715 0.85103 0.53096 1.000
Cu4     Cu   0.52883 0.32021 0.06402 1.000

# CIF file generated by ioChem-BD, see http://www.iochem-bd.org
data_I
_chemical_name_common 'calculation.position.68'
_cell_length_a 3.621262
_cell_length_b 3.621262
_cell_length_c 3.621262
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
Cu1     Cu   0.03166 0.81856 0.02664 1.000
Cu2     Cu   0.02946 0.35329 0.55251 1.000
Cu3     Cu   0.52789 0.84862 0.53288 1.000
Cu4     Cu   0.52993 0.31426 0.06644 1.000

# CIF file generated by ioChem-BD, see http://www.iochem-bd.org
data_I
_chemical_name_common 'calculation.position.69'
_cell_length_a 3.621262
_cell_length_b 3.621262
_cell_length_c 3.621262
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
Cu1     Cu   0.0322 0.81251 0.02373 1.000
Cu2     Cu   0.02966 0.35318 0.55501 1.000
Cu3     Cu   0.52867 0.846 0.535 1.000
Cu4     Cu   0.53107 0.30835 0.06867 1.000

# CIF file generated by ioChem-BD, see http://www.iochem-bd.org
data_I
_chemical_name_common 'calculation.position.70'
_cell_length_a 3.621262
_cell_length_b 3.621262
_cell_length_c 3.621262
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
Cu1     Cu   0.03272 0.80657 0.02099 1.000
Cu2     Cu   0.02987 0.35282 0.55744 1.000
Cu3     Cu   0.52948 0.84317 0.53727 1.000
Cu4     Cu   0.53222 0.30257 0.0707 1.000

# CIF file generated by ioChem-BD, see http://www.iochem-bd.org
data_I
_chemical_name_common 'calculation.position.71'
_cell_length_a 3.621262
_cell_length_b 3.621262
_cell_length_c 3.621262
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
Cu1     Cu   0.03323 0.80084 0.01853 1.000
Cu2     Cu   0.03009 0.35218 0.55973 1.000
Cu3     Cu   0.53031 0.84018 0.53965 1.000
Cu4     Cu   0.53336 0.29699 0.0725 1.000

# CIF file generated by ioChem-BD, see http://www.iochem-bd.org
data_I
_chemical_name_common 'calculation.position.72'
_cell_length_a 3.621262
_cell_length_b 3.621262
_cell_length_c 3.621262
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
Cu1     Cu   0.03373 0.79541 0.01642 1.000
Cu2     Cu   0.03032 0.3512 0.56182 1.000
Cu3     Cu   0.53114 0.83705 0.5421 1.000
Cu4     Cu   0.53448 0.29169 0.07406 1.000

# CIF file generated by ioChem-BD, see http://www.iochem-bd.org
data_I
_chemical_name_common 'calculation.position.73'
_cell_length_a 3.621262
_cell_length_b 3.621262
_cell_length_c 3.621262
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
Cu1     Cu   0.03421 0.79036 0.01473 1.000
Cu2     Cu   0.03056 0.34987 0.56365 1.000
Cu3     Cu   0.53197 0.83379 0.54458 1.000
Cu4     Cu   0.53556 0.28672 0.07537 1.000

# CIF file generated by ioChem-BD, see http://www.iochem-bd.org
data_I
_chemical_name_common 'calculation.position.74'
_cell_length_a 3.621262
_cell_length_b 3.621262
_cell_length_c 3.621262
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
Cu1     Cu   0.03467 0.78574 0.01352 1.000
Cu2     Cu   0.03083 0.34814 0.56519 1.000
Cu3     Cu   0.53279 0.83044 0.54705 1.000
Cu4     Cu   0.53659 0.2821 0.07644 1.000

# CIF file generated by ioChem-BD, see http://www.iochem-bd.org
data_I
_chemical_name_common 'calculation.position.75'
_cell_length_a 3.621262
_cell_length_b 3.621262
_cell_length_c 3.621262
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
Cu1     Cu   0.03513 0.78159 0.01281 1.000
Cu2     Cu   0.03112 0.346 0.5664 1.000
Cu3     Cu   0.53358 0.82701 0.54947 1.000
Cu4     Cu   0.53757 0.27784 0.07727 1.000

# CIF file generated by ioChem-BD, see http://www.iochem-bd.org
data_I
_chemical_name_common 'calculation.position.76'
_cell_length_a 3.621262
_cell_length_b 3.621262
_cell_length_c 3.621262
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
Cu1     Cu   0.03557 0.77791 0.01264 1.000
Cu2     Cu   0.03144 0.34344 0.56727 1.000
Cu3     Cu   0.53435 0.82352 0.55183 1.000
Cu4     Cu   0.53848 0.27394 0.07788 1.000

# CIF file generated by ioChem-BD, see http://www.iochem-bd.org
data_I
_chemical_name_common 'calculation.position.77'
_cell_length_a 3.621262
_cell_length_b 3.621262
_cell_length_c 3.621262
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
Cu1     Cu   0.03602 0.77471 0.01301 1.000
Cu2     Cu   0.0318 0.34046 0.5678 1.000
Cu3     Cu   0.53508 0.81996 0.55409 1.000
Cu4     Cu   0.53933 0.27041 0.07829 1.000

# CIF file generated by ioChem-BD, see http://www.iochem-bd.org
data_I
_chemical_name_common 'calculation.position.78'
_cell_length_a 3.621262
_cell_length_b 3.621262
_cell_length_c 3.621262
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
Cu1     Cu   0.03646 0.77197 0.01393 1.000
Cu2     Cu   0.03219 0.33706 0.56799 1.000
Cu3     Cu   0.53579 0.81636 0.55625 1.000
Cu4     Cu   0.54012 0.26723 0.07851 1.000

# CIF file generated by ioChem-BD, see http://www.iochem-bd.org
data_I
_chemical_name_common 'calculation.position.79'
_cell_length_a 3.621262
_cell_length_b 3.621262
_cell_length_c 3.621262
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
Cu1     Cu   0.03691 0.76968 0.01537 1.000
Cu2     Cu   0.03262 0.33325 0.56786 1.000
Cu3     Cu   0.53646 0.81271 0.55829 1.000
Cu4     Cu   0.54083 0.26438 0.07856 1.000

# CIF file generated by ioChem-BD, see http://www.iochem-bd.org
data_I
_chemical_name_common 'calculation.position.80'
_cell_length_a 3.621262
_cell_length_b 3.621262
_cell_length_c 3.621262
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
Cu1     Cu   0.03736 0.7678 0.01732 1.000
Cu2     Cu   0.03309 0.32905 0.56743 1.000
Cu3     Cu   0.53711 0.80901 0.5602 1.000
Cu4     Cu   0.54148 0.26185 0.07845 1.000

# CIF file generated by ioChem-BD, see http://www.iochem-bd.org
data_I
_chemical_name_common 'calculation.position.81'
_cell_length_a 3.621262
_cell_length_b 3.621262
_cell_length_c 3.621262
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
Cu1     Cu   0.03782 0.76629 0.01973 1.000
Cu2     Cu   0.0336 0.3245 0.56673 1.000
Cu3     Cu   0.53772 0.80527 0.56197 1.000
Cu4     Cu   0.54207 0.25962 0.0782 1.000

# CIF file generated by ioChem-BD, see http://www.iochem-bd.org
data_I
_chemical_name_common 'calculation.position.82'
_cell_length_a 3.621262
_cell_length_b 3.621262
_cell_length_c 3.621262
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
Cu1     Cu   0.0383 0.76511 0.02257 1.000
Cu2     Cu   0.03416 0.31963 0.56581 1.000
Cu3     Cu   0.53829 0.80148 0.5636 1.000
Cu4     Cu   0.54258 0.25769 0.07782 1.000

# CIF file generated by ioChem-BD, see http://www.iochem-bd.org
data_I
_chemical_name_common 'calculation.position.83'
_cell_length_a 3.621262
_cell_length_b 3.621262
_cell_length_c 3.621262
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
Cu1     Cu   0.03878 0.76423 0.02579 1.000
Cu2     Cu   0.03476 0.31449 0.56469 1.000
Cu3     Cu   0.53884 0.79767 0.56508 1.000
Cu4     Cu   0.54302 0.25603 0.07732 1.000

# CIF file generated by ioChem-BD, see http://www.iochem-bd.org
data_I
_chemical_name_common 'calculation.position.84'
_cell_length_a 3.621262
_cell_length_b 3.621262
_cell_length_c 3.621262
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
Cu1     Cu   0.03927 0.7636 0.02933 1.000
Cu2     Cu   0.03539 0.30914 0.56344 1.000
Cu3     Cu   0.53935 0.79384 0.56642 1.000
Cu4     Cu   0.5434 0.25464 0.07673 1.000

# CIF file generated by ioChem-BD, see http://www.iochem-bd.org
data_I
_chemical_name_common 'calculation.position.85'
_cell_length_a 3.621262
_cell_length_b 3.621262
_cell_length_c 3.621262
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
Cu1     Cu   0.03977 0.76317 0.03312 1.000
Cu2     Cu   0.03606 0.30362 0.56208 1.000
Cu3     Cu   0.53982 0.79 0.5676 1.000
Cu4     Cu   0.54372 0.2535 0.07604 1.000

# CIF file generated by ioChem-BD, see http://www.iochem-bd.org
data_I
_chemical_name_common 'calculation.position.86'
_cell_length_a 3.621262
_cell_length_b 3.621262
_cell_length_c 3.621262
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
Cu1     Cu   0.04027 0.76291 0.03712 1.000
Cu2     Cu   0.03677 0.298 0.56067 1.000
Cu3     Cu   0.54027 0.78617 0.56864 1.000
Cu4     Cu   0.54397 0.2526 0.07527 1.000

# CIF file generated by ioChem-BD, see http://www.iochem-bd.org
data_I
_chemical_name_common 'calculation.position.87'
_cell_length_a 3.621262
_cell_length_b 3.621262
_cell_length_c 3.621262
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
Cu1     Cu   0.04078 0.76277 0.04124 1.000
Cu2     Cu   0.0375 0.29235 0.55925 1.000
Cu3     Cu   0.54068 0.78237 0.56953 1.000
Cu4     Cu   0.54417 0.25192 0.07444 1.000

# CIF file generated by ioChem-BD, see http://www.iochem-bd.org
data_I
_chemical_name_common 'calculation.position.88'
_cell_length_a 3.621262
_cell_length_b 3.621262
_cell_length_c 3.621262
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
Cu1     Cu   0.04128 0.76273 0.04543 1.000
Cu2     Cu   0.03825 0.28671 0.55785 1.000
Cu3     Cu   0.54107 0.7786 0.57029 1.000
Cu4     Cu   0.54432 0.25145 0.07355 1.000

# CIF file generated by ioChem-BD, see http://www.iochem-bd.org
data_I
_chemical_name_common 'calculation.position.89'
_cell_length_a 3.621262
_cell_length_b 3.621262
_cell_length_c 3.621262
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
Cu1     Cu   0.04178 0.76275 0.04963 1.000
Cu2     Cu   0.03902 0.28115 0.55652 1.000
Cu3     Cu   0.54144 0.7749 0.57093 1.000
Cu4     Cu   0.54441 0.25117 0.07261 1.000

# CIF file generated by ioChem-BD, see http://www.iochem-bd.org
data_I
_chemical_name_common 'calculation.position.90'
_cell_length_a 3.621262
_cell_length_b 3.621262
_cell_length_c 3.621262
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
Cu1     Cu   0.04226 0.76279 0.05379 1.000
Cu2     Cu   0.03978 0.2757 0.55528 1.000
Cu3     Cu   0.54178 0.77127 0.57145 1.000
Cu4     Cu   0.54447 0.25105 0.07163 1.000

# CIF file generated by ioChem-BD, see http://www.iochem-bd.org
data_I
_chemical_name_common 'calculation.position.91'
_cell_length_a 3.621262
_cell_length_b 3.621262
_cell_length_c 3.621262
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
Cu1     Cu   0.04273 0.76284 0.05785 1.000
Cu2     Cu   0.04055 0.27041 0.55415 1.000
Cu3     Cu   0.5421 0.76773 0.57188 1.000
Cu4     Cu   0.5445 0.25108 0.07062 1.000

# CIF file generated by ioChem-BD, see http://www.iochem-bd.org
data_I
_chemical_name_common 'calculation.position.92'
_cell_length_a 3.621262
_cell_length_b 3.621262
_cell_length_c 3.621262
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
Cu1     Cu   0.04319 0.76286 0.06177 1.000
Cu2     Cu   0.04131 0.26532 0.55317 1.000
Cu3     Cu   0.5424 0.76428 0.57222 1.000
Cu4     Cu   0.54449 0.25123 0.06959 1.000

# CIF file generated by ioChem-BD, see http://www.iochem-bd.org
data_I
_chemical_name_common 'calculation.position.93'
_cell_length_a 3.621262
_cell_length_b 3.621262
_cell_length_c 3.621262
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
Cu1     Cu   0.04363 0.76284 0.06553 1.000
Cu2     Cu   0.04205 0.26044 0.55233 1.000
Cu3     Cu   0.54269 0.76093 0.57249 1.000
Cu4     Cu   0.54447 0.25148 0.06855 1.000

# CIF file generated by ioChem-BD, see http://www.iochem-bd.org
data_I
_chemical_name_common 'calculation.position.94'
_cell_length_a 3.621262
_cell_length_b 3.621262
_cell_length_c 3.621262
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
Cu1     Cu   0.04406 0.76276 0.06909 1.000
Cu2     Cu   0.04277 0.25579 0.55166 1.000
Cu3     Cu   0.54297 0.75769 0.57271 1.000
Cu4     Cu   0.54443 0.25182 0.0675 1.000

# CIF file generated by ioChem-BD, see http://www.iochem-bd.org
data_I
_chemical_name_common 'calculation.position.95'
_cell_length_a 3.621262
_cell_length_b 3.621262
_cell_length_c 3.621262
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
Cu1     Cu   0.04446 0.76261 0.07244 1.000
Cu2     Cu   0.04347 0.25138 0.55116 1.000
Cu3     Cu   0.54324 0.75455 0.57288 1.000
Cu4     Cu   0.54439 0.25221 0.06644 1.000

# CIF file generated by ioChem-BD, see http://www.iochem-bd.org
data_I
_chemical_name_common 'calculation.position.96'
_cell_length_a 3.621262
_cell_length_b 3.621262
_cell_length_c 3.621262
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
Cu1     Cu   0.04484 0.76236 0.07556 1.000
Cu2     Cu   0.04414 0.24722 0.55085 1.000
Cu3     Cu   0.5435 0.75151 0.57302 1.000
Cu4     Cu   0.54435 0.25265 0.06539 1.000

# CIF file generated by ioChem-BD, see http://www.iochem-bd.org
data_I
_chemical_name_common 'calculation.position.97'
_cell_length_a 3.621262
_cell_length_b 3.621262
_cell_length_c 3.621262
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
Cu1     Cu   0.04519 0.76201 0.07844 1.000
Cu2     Cu   0.04479 0.2433 0.55073 1.000
Cu3     Cu   0.54376 0.74856 0.57313 1.000
Cu4     Cu   0.5443 0.25311 0.06434 1.000

# CIF file generated by ioChem-BD, see http://www.iochem-bd.org
data_I
_chemical_name_common 'calculation.position.98'
_cell_length_a 3.621262
_cell_length_b 3.621262
_cell_length_c 3.621262
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
Cu1     Cu   0.04553 0.76153 0.08107 1.000
Cu2     Cu   0.0454 0.23962 0.5508 1.000
Cu3     Cu   0.54403 0.7457 0.57323 1.000
Cu4     Cu   0.54427 0.25358 0.06331 1.000

# CIF file generated by ioChem-BD, see http://www.iochem-bd.org
data_I
_chemical_name_common 'calculation.position.99'
_cell_length_a 3.621262
_cell_length_b 3.621262
_cell_length_c 3.621262
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
Cu1     Cu   0.04585 0.76093 0.08345 1.000
Cu2     Cu   0.04599 0.23618 0.55107 1.000
Cu3     Cu   0.5443 0.74293 0.57332 1.000
Cu4     Cu   0.54425 0.25404 0.06229 1.000

# CIF file generated by ioChem-BD, see http://www.iochem-bd.org
data_I
_chemical_name_common 'calculation.position.100'
_cell_length_a 3.621262
_cell_length_b 3.621262
_cell_length_c 3.621262
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
Cu1     Cu   0.04614 0.76019 0.08558 1.000
Cu2     Cu   0.04654 0.23296 0.55153 1.000
Cu3     Cu   0.54458 0.74024 0.57341 1.000
Cu4     Cu   0.54424 0.25447 0.06129 1.000

# CIF file generated by ioChem-BD, see http://www.iochem-bd.org
data_I
_chemical_name_common 'calculation.position.101'
_cell_length_a 3.621262
_cell_length_b 3.621262
_cell_length_c 3.621262
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
Cu1     Cu   0.04642 0.7593 0.08745 1.000
Cu2     Cu   0.04707 0.22996 0.55221 1.000
Cu3     Cu   0.54487 0.73761 0.5735 1.000
Cu4     Cu   0.54425 0.25486 0.0603 1.000

# CIF file generated by ioChem-BD, see http://www.iochem-bd.org
data_I
_chemical_name_common 'calculation.position.102'
_cell_length_a 3.621262
_cell_length_b 3.621262
_cell_length_c 3.621262
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
Cu1     Cu   0.04668 0.75825 0.08907 1.000
Cu2     Cu   0.04757 0.22716 0.55308 1.000
Cu3     Cu   0.54518 0.73505 0.57359 1.000
Cu4     Cu   0.54428 0.25519 0.05936 1.000

# CIF file generated by ioChem-BD, see http://www.iochem-bd.org
data_I
_chemical_name_common 'calculation.position.103'
_cell_length_a 3.621262
_cell_length_b 3.621262
_cell_length_c 3.621262
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
Cu1     Cu   0.04692 0.75703 0.09044 1.000
Cu2     Cu   0.04805 0.22456 0.55417 1.000
Cu3     Cu   0.54551 0.73254 0.57369 1.000
Cu4     Cu   0.54434 0.25544 0.05845 1.000

# CIF file generated by ioChem-BD, see http://www.iochem-bd.org
data_I
_chemical_name_common 'calculation.position.104'
_cell_length_a 3.621262
_cell_length_b 3.621262
_cell_length_c 3.621262
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
Cu1     Cu   0.04714 0.75562 0.09156 1.000
Cu2     Cu   0.0485 0.22214 0.55547 1.000
Cu3     Cu   0.54585 0.73008 0.5738 1.000
Cu4     Cu   0.54443 0.2556 0.05758 1.000

# CIF file generated by ioChem-BD, see http://www.iochem-bd.org
data_I
_chemical_name_common 'calculation.position.105'
_cell_length_a 3.621262
_cell_length_b 3.621262
_cell_length_c 3.621262
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
Cu1     Cu   0.04735 0.75401 0.09243 1.000
Cu2     Cu   0.04893 0.21989 0.55699 1.000
Cu3     Cu   0.54623 0.72766 0.57391 1.000
Cu4     Cu   0.54454 0.25564 0.05676 1.000

# CIF file generated by ioChem-BD, see http://www.iochem-bd.org
data_I
_chemical_name_common 'calculation.position.106'
_cell_length_a 3.621262
_cell_length_b 3.621262
_cell_length_c 3.621262
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
Cu1     Cu   0.04754 0.7522 0.09306 1.000
Cu2     Cu   0.04933 0.2178 0.55873 1.000
Cu3     Cu   0.54663 0.72528 0.57403 1.000
Cu4     Cu   0.5447 0.25555 0.05601 1.000

# CIF file generated by ioChem-BD, see http://www.iochem-bd.org
data_I
_chemical_name_common 'calculation.position.107'
_cell_length_a 3.621262
_cell_length_b 3.621262
_cell_length_c 3.621262
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
Cu1     Cu   0.04773 0.75016 0.09343 1.000
Cu2     Cu   0.04972 0.21586 0.56069 1.000
Cu3     Cu   0.54706 0.72293 0.57415 1.000
Cu4     Cu   0.54489 0.25529 0.05533 1.000

# CIF file generated by ioChem-BD, see http://www.iochem-bd.org
data_I
_chemical_name_common 'calculation.position.108'
_cell_length_a 3.621262
_cell_length_b 3.621262
_cell_length_c 3.621262
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
Cu1     Cu   0.0479 0.74789 0.09357 1.000
Cu2     Cu   0.05008 0.21404 0.56288 1.000
Cu3     Cu   0.54753 0.7206 0.57427 1.000
Cu4     Cu   0.54512 0.25486 0.05475 1.000

# CIF file generated by ioChem-BD, see http://www.iochem-bd.org
data_I
_chemical_name_common 'calculation.position.109'
_cell_length_a 3.621262
_cell_length_b 3.621262
_cell_length_c 3.621262
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
Cu1     Cu   0.04807 0.74537 0.09346 1.000
Cu2     Cu   0.05044 0.21233 0.56531 1.000
Cu3     Cu   0.54804 0.71829 0.57438 1.000
Cu4     Cu   0.5454 0.2542 0.05426 1.000

# CIF file generated by ioChem-BD, see http://www.iochem-bd.org
data_I
_chemical_name_common 'calculation.position.110'
_cell_length_a 3.621262
_cell_length_b 3.621262
_cell_length_c 3.621262
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
Cu1     Cu   0.04823 0.74257 0.09312 1.000
Cu2     Cu   0.05077 0.21072 0.56797 1.000
Cu3     Cu   0.54859 0.716 0.57448 1.000
Cu4     Cu   0.54574 0.25329 0.05391 1.000

# CIF file generated by ioChem-BD, see http://www.iochem-bd.org
data_I
_chemical_name_common 'calculation.position.111'
_cell_length_a 3.621262
_cell_length_b 3.621262
_cell_length_c 3.621262
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
Cu1     Cu   0.04839 0.73948 0.09253 1.000
Cu2     Cu   0.05109 0.20919 0.57087 1.000
Cu3     Cu   0.54919 0.71372 0.57456 1.000
Cu4     Cu   0.54612 0.25209 0.0537 1.000

# CIF file generated by ioChem-BD, see http://www.iochem-bd.org
data_I
_chemical_name_common 'calculation.position.112'
_cell_length_a 3.621262
_cell_length_b 3.621262
_cell_length_c 3.621262
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
Cu1     Cu   0.04856 0.73609 0.09171 1.000
Cu2     Cu   0.0514 0.20772 0.57401 1.000
Cu3     Cu   0.54983 0.71145 0.57463 1.000
Cu4     Cu   0.54657 0.25056 0.05367 1.000

# CIF file generated by ioChem-BD, see http://www.iochem-bd.org
data_I
_chemical_name_common 'calculation.position.113'
_cell_length_a 3.621262
_cell_length_b 3.621262
_cell_length_c 3.621262
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
Cu1     Cu   0.04874 0.73236 0.09066 1.000
Cu2     Cu   0.05171 0.20628 0.57738 1.000
Cu3     Cu   0.55052 0.70918 0.57466 1.000
Cu4     Cu   0.54709 0.24865 0.05383 1.000

# CIF file generated by ioChem-BD, see http://www.iochem-bd.org
data_I
_chemical_name_common 'calculation.position.114'
_cell_length_a 3.621262
_cell_length_b 3.621262
_cell_length_c 3.621262
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
Cu1     Cu   0.04894 0.72829 0.08938 1.000
Cu2     Cu   0.05201 0.20487 0.58098 1.000
Cu3     Cu   0.55127 0.70692 0.57465 1.000
Cu4     Cu   0.54767 0.24631 0.05424 1.000

# CIF file generated by ioChem-BD, see http://www.iochem-bd.org
data_I
_chemical_name_common 'calculation.position.115'
_cell_length_a 3.621262
_cell_length_b 3.621262
_cell_length_c 3.621262
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
Cu1     Cu   0.04915 0.72385 0.0879 1.000
Cu2     Cu   0.0523 0.20346 0.5848 1.000
Cu3     Cu   0.55207 0.70465 0.5746 1.000
Cu4     Cu   0.54833 0.24351 0.05491 1.000

# CIF file generated by ioChem-BD, see http://www.iochem-bd.org
data_I
_chemical_name_common 'calculation.position.116'
_cell_length_a 3.621262
_cell_length_b 3.621262
_cell_length_c 3.621262
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
Cu1     Cu   0.0494 0.71905 0.08622 1.000
Cu2     Cu   0.05261 0.20203 0.5888 1.000
Cu3     Cu   0.55292 0.70239 0.5745 1.000
Cu4     Cu   0.54907 0.2402 0.05588 1.000

# CIF file generated by ioChem-BD, see http://www.iochem-bd.org
data_I
_chemical_name_common 'calculation.position.117'
_cell_length_a 3.621262
_cell_length_b 3.621262
_cell_length_c 3.621262
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
Cu1     Cu   0.04968 0.71389 0.08436 1.000
Cu2     Cu   0.05292 0.20056 0.59296 1.000
Cu3     Cu   0.55383 0.70013 0.57435 1.000
Cu4     Cu   0.54989 0.23633 0.05718 1.000

# CIF file generated by ioChem-BD, see http://www.iochem-bd.org
data_I
_chemical_name_common 'calculation.position.118'
_cell_length_a 3.621262
_cell_length_b 3.621262
_cell_length_c 3.621262
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
Cu1     Cu   0.05 0.70837 0.08236 1.000
Cu2     Cu   0.05325 0.19903 0.59722 1.000
Cu3     Cu   0.55478 0.69788 0.57413 1.000
Cu4     Cu   0.55079 0.23189 0.05884 1.000

# CIF file generated by ioChem-BD, see http://www.iochem-bd.org
data_I
_chemical_name_common 'calculation.position.119'
_cell_length_a 3.621262
_cell_length_b 3.621262
_cell_length_c 3.621262
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
Cu1     Cu   0.05037 0.70256 0.08027 1.000
Cu2     Cu   0.05359 0.19743 0.60152 1.000
Cu3     Cu   0.55577 0.69564 0.57386 1.000
Cu4     Cu   0.55175 0.22687 0.06088 1.000

# CIF file generated by ioChem-BD, see http://www.iochem-bd.org
data_I
_chemical_name_common 'calculation.position.120'
_cell_length_a 3.621262
_cell_length_b 3.621262
_cell_length_c 3.621262
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
Cu1     Cu   0.05079 0.69649 0.07812 1.000
Cu2     Cu   0.05395 0.19574 0.60578 1.000
Cu3     Cu   0.55678 0.69344 0.57352 1.000
Cu4     Cu   0.55278 0.2213 0.06329 1.000

# CIF file generated by ioChem-BD, see http://www.iochem-bd.org
data_I
_chemical_name_common 'calculation.position.121'
_cell_length_a 3.621262
_cell_length_b 3.621262
_cell_length_c 3.621262
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
Cu1     Cu   0.05128 0.69027 0.076 1.000
Cu2     Cu   0.05434 0.19397 0.60991 1.000
Cu3     Cu   0.5578 0.69128 0.57314 1.000
Cu4     Cu   0.55384 0.21524 0.06607 1.000

# CIF file generated by ioChem-BD, see http://www.iochem-bd.org
data_I
_chemical_name_common 'calculation.position.122'
_cell_length_a 3.621262
_cell_length_b 3.621262
_cell_length_c 3.621262
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
Cu1     Cu   0.05182 0.68398 0.07395 1.000
Cu2     Cu   0.05475 0.1921 0.6138 1.000
Cu3     Cu   0.5588 0.68917 0.57271 1.000
Cu4     Cu   0.55493 0.20876 0.06918 1.000

# CIF file generated by ioChem-BD, see http://www.iochem-bd.org
data_I
_chemical_name_common 'calculation.position.123'
_cell_length_a 3.621262
_cell_length_b 3.621262
_cell_length_c 3.621262
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
Cu1     Cu   0.05241 0.67776 0.07206 1.000
Cu2     Cu   0.05519 0.19014 0.61736 1.000
Cu3     Cu   0.55977 0.68714 0.57227 1.000
Cu4     Cu   0.55601 0.20197 0.07256 1.000

# CIF file generated by ioChem-BD, see http://www.iochem-bd.org
data_I
_chemical_name_common 'calculation.position.124'
_cell_length_a 3.621262
_cell_length_b 3.621262
_cell_length_c 3.621262
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
Cu1     Cu   0.05306 0.67172 0.07038 1.000
Cu2     Cu   0.05565 0.1881 0.6205 1.000
Cu3     Cu   0.56069 0.68519 0.57181 1.000
Cu4     Cu   0.55708 0.19501 0.07615 1.000

# CIF file generated by ioChem-BD, see http://www.iochem-bd.org
data_I
_chemical_name_common 'calculation.position.125'
_cell_length_a 3.621262
_cell_length_b 3.621262
_cell_length_c 3.621262
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
Cu1     Cu   0.05374 0.66597 0.06898 1.000
Cu2     Cu   0.05614 0.18598 0.62315 1.000
Cu3     Cu   0.56153 0.68333 0.57138 1.000
Cu4     Cu   0.5581 0.188 0.07988 1.000

# CIF file generated by ioChem-BD, see http://www.iochem-bd.org
data_I
_chemical_name_common 'calculation.position.126'
_cell_length_a 3.621262
_cell_length_b 3.621262
_cell_length_c 3.621262
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
Cu1     Cu   0.05446 0.66061 0.0679 1.000
Cu2     Cu   0.05665 0.18379 0.62527 1.000
Cu3     Cu   0.56229 0.68156 0.57097 1.000
Cu4     Cu   0.55905 0.18108 0.08366 1.000

# CIF file generated by ioChem-BD, see http://www.iochem-bd.org
data_I
_chemical_name_common 'calculation.position.127'
_cell_length_a 3.621262
_cell_length_b 3.621262
_cell_length_c 3.621262
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
Cu1     Cu   0.05521 0.65569 0.06715 1.000
Cu2     Cu   0.05718 0.18154 0.62683 1.000
Cu3     Cu   0.56296 0.67988 0.57062 1.000
Cu4     Cu   0.55994 0.17434 0.08742 1.000

# CIF file generated by ioChem-BD, see http://www.iochem-bd.org
data_I
_chemical_name_common 'calculation.position.128'
_cell_length_a 3.621262
_cell_length_b 3.621262
_cell_length_c 3.621262
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
Cu1     Cu   0.05597 0.65126 0.06676 1.000
Cu2     Cu   0.05771 0.17924 0.62785 1.000
Cu3     Cu   0.56353 0.67826 0.57034 1.000
Cu4     Cu   0.56074 0.16788 0.09111 1.000

# CIF file generated by ioChem-BD, see http://www.iochem-bd.org
data_I
_chemical_name_common 'calculation.position.129'
_cell_length_a 3.621262
_cell_length_b 3.621262
_cell_length_c 3.621262
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
Cu1     Cu   0.05675 0.64732 0.0667 1.000
Cu2     Cu   0.05826 0.17689 0.62834 1.000
Cu3     Cu   0.56402 0.6767 0.57014 1.000
Cu4     Cu   0.56146 0.16175 0.09465 1.000

# CIF file generated by ioChem-BD, see http://www.iochem-bd.org
data_I
_chemical_name_common 'calculation.position.130'
_cell_length_a 3.621262
_cell_length_b 3.621262
_cell_length_c 3.621262
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
Cu1     Cu   0.05753 0.64388 0.06698 1.000
Cu2     Cu   0.05881 0.17451 0.62834 1.000
Cu3     Cu   0.56442 0.67516 0.57005 1.000
Cu4     Cu   0.56209 0.15601 0.09803 1.000

# CIF file generated by ioChem-BD, see http://www.iochem-bd.org
data_I
_chemical_name_common 'calculation.position.131'
_cell_length_a 3.621262
_cell_length_b 3.621262
_cell_length_c 3.621262
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
Cu1     Cu   0.05831 0.64089 0.06756 1.000
Cu2     Cu   0.05936 0.1721 0.6279 1.000
Cu3     Cu   0.56474 0.67363 0.57007 1.000
Cu4     Cu   0.56265 0.15067 0.10119 1.000

# CIF file generated by ioChem-BD, see http://www.iochem-bd.org
data_I
_chemical_name_common 'calculation.position.132'
_cell_length_a 3.621262
_cell_length_b 3.621262
_cell_length_c 3.621262
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
Cu1     Cu   0.05908 0.63833 0.06842 1.000
Cu2     Cu   0.05992 0.16966 0.62707 1.000
Cu3     Cu   0.56498 0.67209 0.57022 1.000
Cu4     Cu   0.56314 0.14575 0.10413 1.000

# CIF file generated by ioChem-BD, see http://www.iochem-bd.org
data_I
_chemical_name_common 'calculation.position.133'
_cell_length_a 3.621262
_cell_length_b 3.621262
_cell_length_c 3.621262
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
Cu1     Cu   0.05985 0.63615 0.06952 1.000
Cu2     Cu   0.06047 0.1672 0.6259 1.000
Cu3     Cu   0.56517 0.6705 0.57051 1.000
Cu4     Cu   0.56357 0.14123 0.10682 1.000

# CIF file generated by ioChem-BD, see http://www.iochem-bd.org
data_I
_chemical_name_common 'calculation.position.134'
_cell_length_a 3.621262
_cell_length_b 3.621262
_cell_length_c 3.621262
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
Cu1     Cu   0.06061 0.63431 0.07085 1.000
Cu2     Cu   0.06103 0.16473 0.62443 1.000
Cu3     Cu   0.5653 0.66886 0.57095 1.000
Cu4     Cu   0.56394 0.13712 0.10925 1.000

# CIF file generated by ioChem-BD, see http://www.iochem-bd.org
data_I
_chemical_name_common 'calculation.position.135'
_cell_length_a 3.621262
_cell_length_b 3.621262
_cell_length_c 3.621262
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
Cu1     Cu   0.06136 0.63276 0.07237 1.000
Cu2     Cu   0.06158 0.16225 0.62272 1.000
Cu3     Cu   0.56538 0.66713 0.57154 1.000
Cu4     Cu   0.56426 0.1334 0.11141 1.000

# CIF file generated by ioChem-BD, see http://www.iochem-bd.org
data_I
_chemical_name_common 'calculation.position.136'
_cell_length_a 3.621262
_cell_length_b 3.621262
_cell_length_c 3.621262
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
Cu1     Cu   0.0621 0.63147 0.07405 1.000
Cu2     Cu   0.06213 0.15976 0.62081 1.000
Cu3     Cu   0.56542 0.66531 0.57231 1.000
Cu4     Cu   0.56453 0.13006 0.11331 1.000

# CIF file generated by ioChem-BD, see http://www.iochem-bd.org
data_I
_chemical_name_common 'calculation.position.137'
_cell_length_a 3.621262
_cell_length_b 3.621262
_cell_length_c 3.621262
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
Cu1     Cu   0.06282 0.63039 0.07586 1.000
Cu2     Cu   0.06267 0.15727 0.61874 1.000
Cu3     Cu   0.56544 0.66337 0.57325 1.000
Cu4     Cu   0.56477 0.12708 0.11494 1.000

# CIF file generated by ioChem-BD, see http://www.iochem-bd.org
data_I
_chemical_name_common 'calculation.position.138'
_cell_length_a 3.621262
_cell_length_b 3.621262
_cell_length_c 3.621262
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
Cu1     Cu   0.06354 0.62948 0.07779 1.000
Cu2     Cu   0.06322 0.15478 0.61654 1.000
Cu3     Cu   0.56542 0.66131 0.57437 1.000
Cu4     Cu   0.56498 0.12444 0.11629 1.000

# CIF file generated by ioChem-BD, see http://www.iochem-bd.org
data_I
_chemical_name_common 'calculation.position.139'
_cell_length_a 3.621262
_cell_length_b 3.621262
_cell_length_c 3.621262
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
Cu1     Cu   0.06423 0.62872 0.0798 1.000
Cu2     Cu   0.06375 0.15229 0.61425 1.000
Cu3     Cu   0.5654 0.6591 0.57568 1.000
Cu4     Cu   0.56517 0.12212 0.11738 1.000

# CIF file generated by ioChem-BD, see http://www.iochem-bd.org
data_I
_chemical_name_common 'calculation.position.140'
_cell_length_a 3.621262
_cell_length_b 3.621262
_cell_length_c 3.621262
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
Cu1     Cu   0.06492 0.62808 0.08189 1.000
Cu2     Cu   0.06428 0.14981 0.61189 1.000
Cu3     Cu   0.56536 0.65675 0.57716 1.000
Cu4     Cu   0.56534 0.12012 0.11819 1.000

# CIF file generated by ioChem-BD, see http://www.iochem-bd.org
data_I
_chemical_name_common 'calculation.position.141'
_cell_length_a 3.621262
_cell_length_b 3.621262
_cell_length_c 3.621262
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
Cu1     Cu   0.06558 0.62752 0.08403 1.000
Cu2     Cu   0.06481 0.14733 0.60949 1.000
Cu3     Cu   0.56531 0.65424 0.57884 1.000
Cu4     Cu   0.56549 0.1184 0.11875 1.000

# CIF file generated by ioChem-BD, see http://www.iochem-bd.org
data_I
_chemical_name_common 'calculation.position.142'
_cell_length_a 3.621262
_cell_length_b 3.621262
_cell_length_c 3.621262
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
Cu1     Cu   0.06623 0.62703 0.08622 1.000
Cu2     Cu   0.06532 0.14485 0.60708 1.000
Cu3     Cu   0.56526 0.65158 0.58069 1.000
Cu4     Cu   0.56564 0.11696 0.11904 1.000

# CIF file generated by ioChem-BD, see http://www.iochem-bd.org
data_I
_chemical_name_common 'calculation.position.143'
_cell_length_a 3.621262
_cell_length_b 3.621262
_cell_length_c 3.621262
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
Cu1     Cu   0.06685 0.62658 0.08842 1.000
Cu2     Cu   0.06583 0.14237 0.60467 1.000
Cu3     Cu   0.56523 0.64875 0.58273 1.000
Cu4     Cu   0.56579 0.11577 0.11908 1.000

# CIF file generated by ioChem-BD, see http://www.iochem-bd.org
data_I
_chemical_name_common 'calculation.position.144'
_cell_length_a 3.621262
_cell_length_b 3.621262
_cell_length_c 3.621262
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
Cu1     Cu   0.06745 0.62617 0.09065 1.000
Cu2     Cu   0.06632 0.13989 0.6023 1.000
Cu3     Cu   0.5652 0.64578 0.58495 1.000
Cu4     Cu   0.56594 0.11482 0.11887 1.000

# CIF file generated by ioChem-BD, see http://www.iochem-bd.org
data_I
_chemical_name_common 'calculation.position.145'
_cell_length_a 3.621262
_cell_length_b 3.621262
_cell_length_c 3.621262
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
Cu1     Cu   0.06803 0.62576 0.09287 1.000
Cu2     Cu   0.06681 0.1374 0.59996 1.000
Cu3     Cu   0.56519 0.64265 0.58734 1.000
Cu4     Cu   0.5661 0.11408 0.11842 1.000

# CIF file generated by ioChem-BD, see http://www.iochem-bd.org
data_I
_chemical_name_common 'calculation.position.146'
_cell_length_a 3.621262
_cell_length_b 3.621262
_cell_length_c 3.621262
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
Cu1     Cu   0.06859 0.62535 0.09508 1.000
Cu2     Cu   0.06727 0.1349 0.5977 1.000
Cu3     Cu   0.5652 0.63937 0.5899 1.000
Cu4     Cu   0.56627 0.11354 0.11774 1.000

# CIF file generated by ioChem-BD, see http://www.iochem-bd.org
data_I
_chemical_name_common 'calculation.position.147'
_cell_length_a 3.621262
_cell_length_b 3.621262
_cell_length_c 3.621262
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
Cu1     Cu   0.06911 0.62494 0.09728 1.000
Cu2     Cu   0.06773 0.13238 0.59552 1.000
Cu3     Cu   0.56523 0.63596 0.59261 1.000
Cu4     Cu   0.56646 0.11318 0.11683 1.000

# CIF file generated by ioChem-BD, see http://www.iochem-bd.org
data_I
_chemical_name_common 'calculation.position.148'
_cell_length_a 3.621262
_cell_length_b 3.621262
_cell_length_c 3.621262
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
Cu1     Cu   0.06961 0.6245 0.09945 1.000
Cu2     Cu   0.06817 0.12984 0.59344 1.000
Cu3     Cu   0.56529 0.6324 0.59547 1.000
Cu4     Cu   0.56667 0.11299 0.11571 1.000

# CIF file generated by ioChem-BD, see http://www.iochem-bd.org
data_I
_chemical_name_common 'calculation.position.149'
_cell_length_a 3.621262
_cell_length_b 3.621262
_cell_length_c 3.621262
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
Cu1     Cu   0.07008 0.62402 0.10159 1.000
Cu2     Cu   0.06859 0.12728 0.59148 1.000
Cu3     Cu   0.56539 0.62872 0.59847 1.000
Cu4     Cu   0.5669 0.11293 0.11439 1.000

# CIF file generated by ioChem-BD, see http://www.iochem-bd.org
data_I
_chemical_name_common 'calculation.position.150'
_cell_length_a 3.621262
_cell_length_b 3.621262
_cell_length_c 3.621262
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
Cu1     Cu   0.07051 0.62351 0.10368 1.000
Cu2     Cu   0.069 0.12468 0.58966 1.000
Cu3     Cu   0.56553 0.62492 0.60159 1.000
Cu4     Cu   0.56716 0.113 0.11287 1.000

# CIF file generated by ioChem-BD, see http://www.iochem-bd.org
data_I
_chemical_name_common 'calculation.position.151'
_cell_length_a 3.621262
_cell_length_b 3.621262
_cell_length_c 3.621262
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
Cu1     Cu   0.07092 0.62294 0.10572 1.000
Cu2     Cu   0.06937 0.12205 0.58799 1.000
Cu3     Cu   0.56571 0.62101 0.60481 1.000
Cu4     Cu   0.56744 0.11317 0.11117 1.000

# CIF file generated by ioChem-BD, see http://www.iochem-bd.org
data_I
_chemical_name_common 'calculation.position.152'
_cell_length_a 3.621262
_cell_length_b 3.621262
_cell_length_c 3.621262
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
Cu1     Cu   0.07128 0.62232 0.1077 1.000
Cu2     Cu   0.06973 0.11938 0.58648 1.000
Cu3     Cu   0.56593 0.61702 0.60812 1.000
Cu4     Cu   0.56776 0.11342 0.10931 1.000

# CIF file generated by ioChem-BD, see http://www.iochem-bd.org
data_I
_chemical_name_common 'calculation.position.153'
_cell_length_a 3.621262
_cell_length_b 3.621262
_cell_length_c 3.621262
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
Cu1     Cu   0.07162 0.62164 0.10961 1.000
Cu2     Cu   0.07007 0.11667 0.58515 1.000
Cu3     Cu   0.56619 0.61295 0.61149 1.000
Cu4     Cu   0.56811 0.11373 0.10731 1.000

# CIF file generated by ioChem-BD, see http://www.iochem-bd.org
data_I
_chemical_name_common 'calculation.position.154'
_cell_length_a 3.621262
_cell_length_b 3.621262
_cell_length_c 3.621262
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
Cu1     Cu   0.07192 0.62088 0.11145 1.000
Cu2     Cu   0.07038 0.11392 0.584 1.000
Cu3     Cu   0.56651 0.60883 0.6149 1.000
Cu4     Cu   0.56849 0.11409 0.10518 1.000

# CIF file generated by ioChem-BD, see http://www.iochem-bd.org
data_I
_chemical_name_common 'calculation.position.155'
_cell_length_a 3.621262
_cell_length_b 3.621262
_cell_length_c 3.621262
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
Cu1     Cu   0.07218 0.62004 0.11322 1.000
Cu2     Cu   0.07068 0.11112 0.58306 1.000
Cu3     Cu   0.56688 0.60466 0.61833 1.000
Cu4     Cu   0.56891 0.11445 0.10295 1.000

# CIF file generated by ioChem-BD, see http://www.iochem-bd.org
data_I
_chemical_name_common 'calculation.position.156'
_cell_length_a 3.621262
_cell_length_b 3.621262
_cell_length_c 3.621262
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
Cu1     Cu   0.07241 0.61911 0.11491 1.000
Cu2     Cu   0.07096 0.10827 0.58232 1.000
Cu3     Cu   0.56729 0.60047 0.62175 1.000
Cu4     Cu   0.56936 0.11481 0.10065 1.000

# CIF file generated by ioChem-BD, see http://www.iochem-bd.org
data_I
_chemical_name_common 'calculation.position.157'
_cell_length_a 3.621262
_cell_length_b 3.621262
_cell_length_c 3.621262
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
Cu1     Cu   0.07261 0.61809 0.11651 1.000
Cu2     Cu   0.07122 0.10538 0.5818 1.000
Cu3     Cu   0.56776 0.59629 0.62512 1.000
Cu4     Cu   0.56985 0.11513 0.09831 1.000

# CIF file generated by ioChem-BD, see http://www.iochem-bd.org
data_I
_chemical_name_common 'calculation.position.158'
_cell_length_a 3.621262
_cell_length_b 3.621262
_cell_length_c 3.621262
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
Cu1     Cu   0.07278 0.61696 0.11804 1.000
Cu2     Cu   0.07146 0.10243 0.58151 1.000
Cu3     Cu   0.56828 0.59213 0.62841 1.000
Cu4     Cu   0.57036 0.11539 0.09595 1.000

# CIF file generated by ioChem-BD, see http://www.iochem-bd.org
data_I
_chemical_name_common 'calculation.position.159'
_cell_length_a 3.621262
_cell_length_b 3.621262
_cell_length_c 3.621262
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
Cu1     Cu   0.07292 0.61573 0.11947 1.000
Cu2     Cu   0.0717 0.09942 0.58144 1.000
Cu3     Cu   0.56885 0.58802 0.63159 1.000
Cu4     Cu   0.57092 0.11553 0.09363 1.000

# CIF file generated by ioChem-BD, see http://www.iochem-bd.org
data_I
_chemical_name_common 'calculation.position.160'
_cell_length_a 3.621262
_cell_length_b 3.621262
_cell_length_c 3.621262
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
Cu1     Cu   0.07304 0.61437 0.12083 1.000
Cu2     Cu   0.07192 0.09637 0.58161 1.000
Cu3     Cu   0.56947 0.58399 0.63462 1.000
Cu4     Cu   0.5715 0.11554 0.09137 1.000

# CIF file generated by ioChem-BD, see http://www.iochem-bd.org
data_I
_chemical_name_common 'calculation.position.161'
_cell_length_a 3.621262
_cell_length_b 3.621262
_cell_length_c 3.621262
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
Cu1     Cu   0.07313 0.61289 0.1221 1.000
Cu2     Cu   0.07214 0.09325 0.58201 1.000
Cu3     Cu   0.57013 0.58006 0.63745 1.000
Cu4     Cu   0.57211 0.11537 0.08923 1.000

# CIF file generated by ioChem-BD, see http://www.iochem-bd.org
data_I
_chemical_name_common 'calculation.position.162'
_cell_length_a 3.621262
_cell_length_b 3.621262
_cell_length_c 3.621262
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
Cu1     Cu   0.07321 0.61126 0.12328 1.000
Cu2     Cu   0.07236 0.09008 0.58265 1.000
Cu3     Cu   0.57084 0.57626 0.64006 1.000
Cu4     Cu   0.57275 0.11497 0.08723 1.000

# CIF file generated by ioChem-BD, see http://www.iochem-bd.org
data_I
_chemical_name_common 'calculation.position.163'
_cell_length_a 3.621262
_cell_length_b 3.621262
_cell_length_c 3.621262
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
Cu1     Cu   0.07328 0.60948 0.12439 1.000
Cu2     Cu   0.07259 0.08684 0.58353 1.000
Cu3     Cu   0.5716 0.57261 0.64241 1.000
Cu4     Cu   0.57342 0.11432 0.08544 1.000
