data_[Tl8Au4Br32]
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/c]
_cell_length_a [18.8651]
_cell_length_b [9.8166]
_cell_length_c [13.4256]
_cell_angle_alpha [90.0000]
_cell_angle_beta [131.7429]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [Tl2AuBr8]
_chemical_formula_sum '[Tl8 Au4 Br32]'
_cell_volume [1855.1112]
_cell_formula_units_Z [4]
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  8  0.0598  0.3037  0.5597  1
  Au  Au1  4  0.0000  0.1430  0.7500  1
  Br  Br2  8  0.0869  0.4717  0.1906  1
  Br  Br3  8  0.0924  0.1675  0.0077  1
  Br  Br4  8  0.1483  0.2364  0.4837  1
  Br  Br5  8  0.1544  0.8595  0.2955  1
]