data_[Tl4Hg8Au4Cl24]
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
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [14.7377]
_cell_length_b [12.8482]
_cell_length_c [7.7557]
_cell_angle_alpha [90.0000]
_cell_angle_beta [111.2213]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [TlHg2AuCl6]
_chemical_formula_sum '[Tl4 Hg8 Au4 Cl24]'
_cell_volume [1368.9798]
_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  0.1374  0.2500  1.0
  Hg  Hg1  8  0.1996  0.4475  0.1965  1.0
  Au  Au2  4  0.0000  0.2802  0.7500  1.0
  Cl  Cl3  8  0.1199  0.4197  0.4463  1.0
  Cl  Cl4  8  0.1230  0.0436  0.6459  1.0
  Cl  Cl5  8  0.1297  0.2689  0.0264  1.0
]