data_image0
_chemical_formula_structural       I3Cu3
_chemical_formula_sum              "I3 Cu3"
_cell_length_a       7.027168384994335
_cell_length_b       4.211222336373246
_cell_length_c       19.11388516
_cell_angle_alpha    90.0
_cell_angle_beta     90.0
_cell_angle_gamma    90.0

_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  0.894325233961939  0.33611229162006123  0.6082509805138958  1.0000
  I   I2        1.0  0.894325233961939  0.8991758490863937  0.3917479495832652  1.0000
  I   I3        1.0  0.412529416000658  0.6176411911416753  0.5000010699028392  1.0000
  Cu  Cu1       1.0  0.7324890593188979  0.8684620421038368  0.5437869184100508  1.0000
  Cu  Cu2       1.0  0.7324890593188979  0.3668260867295808  0.4562120116871101  1.0000
  Cu  Cu3       1.0  0.03999029261915524  0.6176411911416753  0.5000010699028392  1.0000