data_[Tl4Ag2Au2Br12]
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 [P2_1/c]
_cell_length_a [8.8098]
_cell_length_b [7.2217]
_cell_length_c [12.6405]
_cell_angle_alpha [90.0000]
_cell_angle_beta [122.1093]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [Tl2AgAuBr6]
_chemical_formula_sum '[Tl4 Ag2 Au2 Br12]'
_cell_volume [681.2009]
_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  0.2510  0.5210  0.7689  1.0
  Ag  Ag1  2  0.5000  0.0000  0.0000  1.0
  Au  Au2  2  0.0000  0.0000  0.5000  1.0
  Br  Br3  4  0.1448  0.0079  0.7315  1.0
  Br  Br4  4  0.1761  0.2206  0.0109  1.0
  Br  Br5  4  0.3775  0.7318  0.0577  1.0
]