data_[Tl4Au2Br12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tl  1.6200  1.9000  1.3325
  Au  2.5400  1.3500  1.0700
  Br  2.9600  1.1500  0.8825
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [12.7948]
_cell_length_b [7.4266]
_cell_length_c [7.4365]
_cell_angle_alpha [90.0000]
_cell_angle_beta [125.5538]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Tl2AuBr6]
_chemical_formula_sum '[Tl4 Au2 Br12]'
_cell_volume [574.8924]
_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
[
  Tl  Tl0  4  0.2497  0.5000  0.2510  1.0
  Au  Au1  2  0.0000  0.5000  0.5000  1.0
  Br  Br2  8  0.0052  0.7473  0.7524  1.0
  Br  Br3  4  0.2475  0.5000  0.7375  1.0
]