data_[Cs2Pt2Cl12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cs  0.7900  2.6000  1.8100
  Pt  2.2800  1.3500  0.8050
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [10.0470]
_cell_length_b [8.0284]
_cell_length_c [7.3801]
_cell_angle_alpha [90.0000]
_cell_angle_beta [117.8936]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [CsPtCl6]
_chemical_formula_sum '[Cs2 Pt2 Cl12]'
_cell_volume [526.1272]
_cell_formula_units_Z [2]
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
[
  Cs  Cs0  2  0.0000  0.5000  0.5000  1.0
  Pt  Pt1  2  0.0000  0.0000  0.0000  1.0
  Cl  Cl2  8  0.1351  0.2055  0.2434  1.0
  Cl  Cl3  4  0.1843  0.0000  0.8947  1.0
]