data_[Na4Pt2I2Br12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Na  0.9300  1.8000  1.1600
  Pt  2.2800  1.3500  0.8050
  I  2.6600  1.4000  1.2733
  Br  2.9600  1.1500  0.8825
]
_symmetry_space_group_name_H-M [C2]
_cell_length_a [8.1786]
_cell_length_b [11.9729]
_cell_length_c [7.4336]
_cell_angle_alpha [90.0000]
_cell_angle_beta [93.3986]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [5]
_chemical_formula_structural [Na2PtIBr6]
_chemical_formula_sum '[Na4 Pt2 I2 Br12]'
_cell_volume [726.6318]
_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
[
  Na  Na0  2  0.0000  0.6403  0.5000  1.0
  Na  Na1  2  0.0000  0.9935  0.0000  1.0
  Pt  Pt2  2  0.0000  0.6475  0.0000  1.0
  I  I3  2  0.0000  0.1931  0.5000  1.0
  Br  Br4  4  0.1183  0.7944  0.8061  1.0
  Br  Br5  4  0.1280  0.5010  0.8131  1.0
  Br  Br6  4  0.2355  0.1367  0.7784  1.0
]