data_[K4Pt2Br12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  K  0.8200  2.2000  1.5200
  Pt  2.2800  1.3500  0.8050
  Br  2.9600  1.1500  0.8825
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [12.8491]
_cell_length_b [7.4469]
_cell_length_c [7.5630]
_cell_angle_alpha [90.0000]
_cell_angle_beta [125.6883]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [K2PtBr6]
_chemical_formula_sum '[K4 Pt2 Br12]'
_cell_volume [587.7748]
_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
[
  K  K0  4  0.2492  0.0000  0.7502  1.0
  Pt  Pt1  2  0.0000  0.0000  0.0000  1.0
  Br  Br2  8  0.0246  0.2374  0.7916  1.0
  Br  Br3  4  0.2378  0.0000  0.2842  1.0
]