data_[Na6Tl12Pt6Br36]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Na  0.9300  1.8000  1.1600
  Tl  1.6200  1.9000  1.3325
  Pt  2.2800  1.3500  0.8050
  Br  2.9600  1.1500  0.8825
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [7.4546]
_cell_length_b [7.4546]
_cell_length_c [42.5524]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [166]
_chemical_formula_structural [NaTl2PtBr6]
_chemical_formula_sum '[Na6 Tl12 Pt6 Br36]'
_cell_volume [2047.8799]
_cell_formula_units_Z [6]
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  6  0.0000  0.0000  0.4170  1.0
  Tl  Tl1  6  0.0000  0.0000  0.1401  1.0
  Tl  Tl2  6  0.0000  0.0000  0.3094  1.0
  Pt  Pt3  3  -0.0000  -0.0000  0.5000  1.0
  Pt  Pt4  3  0.0000  0.0000  0.0000  1.0
  Br  Br5  18  0.0036  0.5018  0.1319  1.0
  Br  Br6  18  0.0049  0.5024  0.7013  1.0
]