data_image0
_chemical_formula_structural       I2Cu2
_chemical_formula_sum              "I2 Cu2"
_cell_length_a       4.176989204771927
_cell_length_b       4.1769892
_cell_length_c       18.85580293064
_cell_angle_alpha    90.0
_cell_angle_beta     90.0
_cell_angle_gamma    120.00000000000001

_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  0.0  0.0  0.39775553592643725  1.0000
  I   I2        1.0  0.33333332968176  0.6666666697014167  0.6022444640396208  1.0000
  Cu  Cu1       1.0  0.0  0.0  0.5367736959932506  1.0000
  Cu  Cu2       1.0  0.33333332968176  0.6666666697014167  0.46336394064675596  1.0000