data_image0
_chemical_formula_structural       I6Cu3
_chemical_formula_sum              "I6 Cu3"
_cell_length_a       7.056813178138156
_cell_length_b       7.056813173131844
_cell_length_c       18.79846229
_cell_angle_alpha    90.0
_cell_angle_beta     90.0
_cell_angle_gamma    119.99999997686466

_space_group_name_H-M_alt    "P 1"
_space_group_IT_number       1

loop_
  _space_group_symop_operation_xyz
  'x, y, z'

loop_
  _atom_site_type_symbol
  _atom_site_label
  _atom_site_symmetry_multiplicity
  _atom_site_fract_x
  _atom_site_fract_y
  _atom_site_fract_z
  _atom_site_occupancy
  I   I1        1.0  0.4447776965007764  2.4407715660212586e-12  0.3930194771266049  1.0000
  I   I2        1.0  6.254243410645006e-10  0.4447776969636033  0.3930194771266049  1.0000
  I   I3        1.0  0.5552223037878333  0.5552223031810897  0.3930194771266049  1.0000
  I   I4        1.0  0.33333333056691217  0.6666666705809408  0.5960677728390942  1.0000
  I   I5        1.0  0.6666666703471219  0.33333332956619294  0.5960677728390942  1.0000
  I   I6        1.0  4.698088775784646e-19  1.2863129700936592e-30  0.5546588364063473  1.0000
  Cu  Cu1       1.0  0.3639404976687575  1.997167630980747e-12  0.5247177884994976  1.0000
  Cu  Cu2       1.0  0.9999999998180085  0.36394049781949495  0.5247177884994976  1.0000
  Cu  Cu3       1.0  0.636059502010198  0.6360595023256417  0.5247177884994976  1.0000