data_[Tl4Hg4Bi4Au8]
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
  Bi  2.0200  1.6000  1.0350
  Au  2.5400  1.3500  1.0700
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [14.5101]
_cell_length_b [4.9881]
_cell_length_c [8.9394]
_cell_angle_alpha [90.0000]
_cell_angle_beta [123.1435]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [TlHgBiAu2]
_chemical_formula_sum '[Tl4 Hg4 Bi4 Au8]'
_cell_volume [541.7450]
_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  0.2283  0.5000  0.1145  1.0
  Hg  Hg1  4  0.0463  0.0000  0.8617  1.0
  Bi  Bi2  4  0.1195  0.5000  0.3788  1.0
  Au  Au3  4  0.1012  0.5000  0.6960  1.0
  Au  Au4  4  0.1844  0.0000  0.2599  1.0
]