data_[Tl2Pb1Au1Br6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tl  1.6200  1.9000  1.3325
  Pb  2.3300  1.8000  1.1225
  Au  2.5400  1.3500  1.0700
  Br  2.9600  1.1500  0.8825
]
_symmetry_space_group_name_H-M [P1]
_cell_length_a [7.2379]
_cell_length_b [7.9236]
_cell_length_c [8.3730]
_cell_angle_alpha [61.7987]
_cell_angle_beta [64.9896]
_cell_angle_gamma [88.6428]
_symmetry_Int_Tables_number [1]
_chemical_formula_structural [Tl2PbAuBr6]
_chemical_formula_sum '[Tl2 Pb1 Au1 Br6]'
_cell_volume [374.0646]
_cell_formula_units_Z [1]
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
[
  Tl  Tl0  1  0.0547  0.0935  0.9061  1.0
  Tl  Tl1  1  0.5217  0.5872  0.9291  1.0
  Pb  Pb2  1  0.8167  0.4659  0.3683  1.0
  Au  Au3  1  0.3253  0.9727  0.3518  1.0
  Br  Br4  1  0.0711  0.1850  0.2657  1.0
  Br  Br5  1  0.1908  0.7236  0.2801  1.0
  Br  Br6  1  0.4531  0.2283  0.4220  1.0
  Br  Br7  1  0.6001  0.7830  0.4215  1.0
  Br  Br8  1  0.6656  0.2467  0.8200  1.0
  Br  Br9  1  0.9624  0.6990  0.9123  1.0
]