data_[Pt8I24]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  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 [7.0942]
_cell_length_b [12.3404]
_cell_length_c [13.5637]
_cell_angle_alpha [90.0000]
_cell_angle_beta [101.3600]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [PtI3]
_chemical_formula_sum '[Pt8 I24]'
_cell_volume [1164.1819]
_cell_formula_units_Z [8]
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
[
  Pt  Pt0  4  0.0000  0.0967  0.7500  1.0
  Pt  Pt1  4  0.2500  0.2500  0.0000  1.0
  I  I2  8  0.0928  0.7462  0.1202  1.0
  I  I3  8  0.1307  0.0608  0.1413  1.0
  I  I4  8  0.1580  0.3977  0.1237  1.0
]