data_[Tl8Hg4Au6]
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
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [18.1919]
_cell_length_b [3.5759]
_cell_length_c [7.5821]
_cell_angle_alpha [90.0000]
_cell_angle_beta [103.7662]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Tl4Hg2Au3]
_chemical_formula_sum '[Tl8 Hg4 Au6]'
_cell_volume [479.0635]
_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  0.0942  0.5000  0.8805  1
  Tl  Tl1  4  0.2500  0.5000  0.2405  1
  Hg  Hg2  4  0.1289  0.5000  0.4703  1
  Au  Au3  4  0.0473  0.0000  0.1764  1
  Au  Au4  2  0.0000  0.0000  0.5000  1
]