data_image0
_chemical_formula_structural       I5Cu3
_chemical_formula_sum              "I5 Cu3"
_cell_length_a       7.102062386143314
_cell_length_b       7.102062382048502
_cell_length_c       18.77098461
_cell_angle_alpha    90.0
_cell_angle_beta     90.0
_cell_angle_gamma    120.00000001907266

_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  0.3541072808522146  0.0  0.4307833445077871  1.0000
  I   I2        1.0  0.9999999993415293  0.35410727953527327  0.4307833445077871  1.0000
  I   I3        1.0  0.6458927192978458  0.6458927203129106  0.4307833445077871  1.0000
  I   I4        1.0  0.3333333295474054  0.6666666703591445  0.6325994814184657  1.0000
  I   I5        1.0  0.6666666699441844  0.33333332948903943  0.6325994814184657  1.0000
  Cu  Cu1       1.0  0.3333333295474054  0.6666666703591445  0.5010513111277864  1.0000
  Cu  Cu2       1.0  0.6666666699441844  0.33333332948903943  0.5010513111277864  1.0000
  Cu  Cu3       1.0  0.0  2.5622956383788646e-39  0.4403364299599199  1.0000