data_[Pt4Cl8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Pt  2.2800  1.3500  0.8050
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [Pc]
_cell_length_a [18.2620]
_cell_length_b [7.4843]
_cell_length_c [9.5364]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [7]
_chemical_formula_structural [PtCl2]
_chemical_formula_sum '[Pt4 Cl8]'
_cell_volume [1303.4116]
_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
[
  Pt  Pt0  2  0.4935  0.3626  0.0554  1
  Pt  Pt1  2  0.5018  0.3263  0.3304  1
  Cl  Cl2  2  0.4101  0.2078  0.1865  1
  Cl  Cl3  2  0.4526  0.3794  0.8252  1
  Cl  Cl4  2  0.5533  0.0534  0.3608  1
  Cl  Cl5  2  0.5887  0.4654  0.4690  1
]