data_[Tl4Au4Br16]
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 [13.1090]
_cell_length_b [6.1099]
_cell_length_c [10.8541]
_cell_angle_alpha [90.0000]
_cell_angle_beta [103.1990]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [TlAuBr4]
_chemical_formula_sum '[Tl4 Au4 Br16]'
_cell_volume [846.3921]
_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  4  0.0000  0.2562  0.7500  1.0
  Au  Au1  4  0.2500  0.2500  0.5000  1.0
  Br  Br2  8  0.0566  0.2478  0.4319  1.0
  Br  Br3  8  0.2411  0.0453  0.1554  1.0
]