data_image0
_chemical_formula_structural       I4Cu3
_chemical_formula_sum              "I4 Cu3"
_cell_length_a       7.34933257855734
_cell_length_b       7.349332572975533
_cell_length_c       18.83685533
_cell_angle_alpha    90.0
_cell_angle_beta     90.0
_cell_angle_gamma    120.00000002512401

_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  0.314767890182227  0.0  0.4568845605717141  1.0000
  I   I2        1.0  5.650728747707154e-10  0.31476788995170496  0.4568845605717141  1.0000
  I   I3        1.0  0.6852321109121597  0.6852321104495807  0.4568845605717141  1.0000
  I   I4        1.0  9.390446647408646e-20  0.0  0.6609360969169794  1.0000
  Cu  Cu1       1.0  0.333333329595588  0.666666670076518  0.4687716535114463  1.0000
  Cu  Cu2       1.0  0.666666670703204  0.33333333032476753  0.4687716535114463  1.0000
  Cu  Cu3       1.0  7.542463492504639e-20  0.0  0.5308678669986897  1.0000