data_[Pt3Cl6]
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 [P4mm]
_cell_length_a [7.1304]
_cell_length_b [7.1304]
_cell_length_c [17.5160]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [99]
_chemical_formula_structural [PtCl2]
_chemical_formula_sum '[Pt3 Cl6]'
_cell_volume [890.5639]
_cell_formula_units_Z [3]
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  0.0000  0.5000  0.5224  1
  Pt  Pt1  1  0.0000  0.0000  0.5349  1
  Cl  Cl2  4  0.2295  0.2295  0.5345  1
  Cl  Cl3  2  0.0000  0.5000  0.3912  1
]