data_[Tl4Hg8Au4Br24]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tl  1.6200  1.9000  1.3325
  Hg  2.0000  1.5000  1.2450
  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 [15.3352]
_cell_length_b [14.0259]
_cell_length_c [7.8053]
_cell_angle_alpha [90.0000]
_cell_angle_beta [111.8747]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [TlHg2AuBr6]
_chemical_formula_sum '[Tl4 Hg8 Au4 Br24]'
_cell_volume [1557.9601]
_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  0.1319  0.2500  1.0
  Hg  Hg1  8  0.1992  0.4410  0.2323  1.0
  Au  Au2  4  0.0000  0.2821  0.7500  1.0
  Br  Br3  8  0.1197  0.0563  0.6745  1.0
  Br  Br4  8  0.1197  0.4186  0.4837  1.0
  Br  Br5  8  0.1307  0.2688  0.0450  1.0
]