data_[Tl4Hg4Sb4Au8]
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
  Sb  2.0500  1.4500  0.8300
  Au  2.5400  1.3500  1.0700
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [14.8214]
_cell_length_b [4.7607]
_cell_length_c [10.2463]
_cell_angle_alpha [90.0000]
_cell_angle_beta [127.2507]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [TlHgSbAu2]
_chemical_formula_sum '[Tl4 Hg4 Sb4 Au8]'
_cell_volume [575.4956]
_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  0.0340  0.5000  0.6916  1.0
  Hg  Hg1  4  0.2481  0.5000  0.1469  1.0
  Sb  Sb2  4  0.1288  0.0000  0.2322  1.0
  Au  Au3  4  0.1017  0.0000  0.9333  1.0
  Au  Au4  4  0.2102  0.5000  0.4021  1.0
]