data_[Tl1Ag2Au1Br8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tl  1.6200  1.9000  1.3325
  Ag  1.9300  1.6000  1.0867
  Au  2.5400  1.3500  1.0700
  Br  2.9600  1.1500  0.8825
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [7.1452]
_cell_length_b [7.1471]
_cell_length_c [8.8290]
_cell_angle_alpha [92.4242]
_cell_angle_beta [101.4534]
_cell_angle_gamma [108.4464]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [TlAg2AuBr8]
_chemical_formula_sum '[Tl1 Ag2 Au1 Br8]'
_cell_volume [416.5012]
_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  0.0000  0.0000  0.5000  1.0
  Ag  Ag1  2  0.4556  0.6758  0.6599  1.0
  Au  Au2  1  0.0000  0.0000  0.0000  1.0
  Br  Br3  2  0.1038  0.7280  0.6740  1.0
  Br  Br4  2  0.1224  0.8378  0.2231  1.0
  Br  Br5  2  0.3383  0.2630  0.0428  1.0
  Br  Br6  2  0.3997  0.2632  0.5983  1.0
]