data_image0
_chemical_formula_structural       I3Cu3
_chemical_formula_sum              "I3 Cu3"
_cell_length_a       4.381410827252353
_cell_length_b       4.380670486394098
_cell_length_c       22.2514966
_cell_angle_alpha    90.0
_cell_angle_beta     90.0
_cell_angle_gamma    119.96246192088364

_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  0.30128630604510287  0.9355937471934569  0.6629648389582928  1.0000
  I   I2        1.0  0.30128630604510287  0.9355937471934569  0.33704120108487445  1.0000
  I   I3        1.0  0.961733762516056  0.2666380984134203  0.4999984899892082  1.0000
  Cu  Cu1       1.0  0.9679399390156602  0.2692053796963228  0.638640060731915  1.0000
  Cu  Cu2       1.0  0.9679399390156602  0.2692053796963228  0.36135691924650143  1.0000
  Cu  Cu3       1.0  0.6280437369701886  0.6000536225595934  0.4999984899892082  1.0000