data_[Cu8Pt4I24]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cu  1.9000  1.3500  0.8200
  Pt  2.2800  1.3500  0.8050
  I  2.6600  1.4000  1.2733
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [16.2500]
_cell_length_b [12.1164]
_cell_length_c [6.9386]
_cell_angle_alpha [90.0000]
_cell_angle_beta [94.0294]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [Cu2PtI6]
_chemical_formula_sum '[Cu8 Pt4 I24]'
_cell_volume [1362.7771]
_cell_formula_units_Z [4]
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  '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
[
  Cu  Cu0  8  0.1263  0.4021  0.8135  1.0
  Pt  Pt1  4  0.0000  0.0855  0.7500  1.0
  I  I2  8  0.0916  0.2475  0.5890  1.0
  I  I3  8  0.0960  0.0734  0.0799  1.0
  I  I4  8  0.1547  0.4094  0.1763  1.0
]