data_[Pt8I32]
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 [Fdd2]
_cell_length_a [12.6171]
_cell_length_b [13.1521]
_cell_length_c [8.1805]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [43]
_chemical_formula_structural [PtI4]
_chemical_formula_sum '[Pt8 I32]'
_cell_volume [1357.4920]
_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  8  0.0000  0.0000  0.7530  1
  I  I1  16  0.1016  0.0865  0.0162  1
  I  I2  16  0.1195  0.0902  0.5313  1
]