data_image0
_chemical_formula_structural       I3Cu3
_chemical_formula_sum              "I3 Cu3"
_cell_length_a       5.593838642931367
_cell_length_b       4.243820467435659
_cell_length_c       20.055136
_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  0.02326470216734794  0.8454972865918956  0.6265823567588871  1.0000
  I   I2        1.0  0.02326470216734794  0.8409347820871516  0.3734164435484257  1.0000
  I   I3        1.0  0.47942120808022465  0.3432170307807873  0.5000012001913127  1.0000
  Cu  Cu1       1.0  0.8821898780072744  0.3458506059015448  0.5641184278181908  1.0000
  Cu  Cu2       1.0  0.8821898780072744  0.3405814645296168  0.43588037199049656  1.0000
  Cu  Cu3       1.0  0.13968375026107935  0.84321702990473  0.5000012001913127  1.0000