data_[Na2Tl4Pb2Br12]
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
  Pb  2.3300  1.8000  1.1225
  Br  2.9600  1.1500  0.8825
]
_symmetry_space_group_name_H-M [P2_1/c]
_cell_length_a [7.5071]
_cell_length_b [8.1626]
_cell_length_c [13.2798]
_cell_angle_alpha [90.0000]
_cell_angle_beta [122.3352]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [NaTl2PbBr6]
_chemical_formula_sum '[Na2 Tl4 Pb2 Br12]'
_cell_volume [687.5694]
_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  0.5000  1.0
  Tl  Tl1  4  0.2033  0.5872  0.7375  1.0
  Pb  Pb2  2  0.5000  0.0000  0.0000  1.0
  Br  Br3  4  0.1059  0.6861  0.4358  1.0
  Br  Br4  4  0.2461  0.1847  0.4197  1.0
  Br  Br5  4  0.4045  0.5678  0.2477  1.0
]