data_[Na2Pt2Br12]
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
  Br  2.9600  1.1500  0.8825
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [9.2437]
_cell_length_b [9.3819]
_cell_length_c [7.8576]
_cell_angle_alpha [90.0000]
_cell_angle_beta [125.0335]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [NaPtBr6]
_chemical_formula_sum '[Na2 Pt2 Br12]'
_cell_volume [557.9720]
_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  0.0000  0.0000  1
  Pt  Pt1  2  0.0000  0.0000  0.5000  1
  Br  Br2  8  0.0811  0.1892  0.7666  1
  Br  Br3  4  0.1946  0.5000  0.4093  1
]