data_image0
_chemical_formula_structural       I2S4Cu2
_chemical_formula_sum              "I2 S4 Cu2"
_cell_length_a       4.868114403099772
_cell_length_b       7.70758961232578
_cell_length_c       18.169744886120114
_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  0.01663015149119131  0.01223919341127633  0.402139832771216  1.0000
  I   I2        1.0  0.5157643991277706  0.011177482758322803  0.5978718021681412  1.0000
  S   S1        1.0  0.5815092344989783  0.632737171449946  0.4537360393154338  1.0000
  S   S2        1.0  0.08161295875606737  0.3903037708688072  0.5462544736983044  1.0000
  S   S3        1.0  0.948704719646529  0.6323452253095898  0.5464528287122348  1.0000
  S   S4        1.0  0.44860683812389873  0.3906559756612963  0.45349950489918667  1.0000
  Cu  Cu1       1.0  0.7645219158428479  0.20304624386037576  0.49994641019639185  1.0000
  Cu  Cu2       1.0  0.2646745296658534  0.8197956232510588  0.5001296202535975  1.0000