data_[Tl20Bi8Au4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tl  1.6200  1.9000  1.3325
  Bi  2.0200  1.6000  1.0350
  Au  2.5400  1.3500  1.0700
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [16.0962]
_cell_length_b [9.5426]
_cell_length_c [6.5963]
_cell_angle_alpha [90.0000]
_cell_angle_beta [103.7120]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [Tl5Bi2Au]
_chemical_formula_sum '[Tl20 Bi8 Au4]'
_cell_volume [984.3037]
_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  8  0.0943  0.3895  0.1452  1
  Tl  Tl1  8  0.2111  0.0695  0.0796  1
  Tl  Tl2  4  0.0000  0.0503  0.2500  1
  Bi  Bi3  8  0.0985  0.2561  0.6540  1
  Au  Au4  4  0.2500  0.2500  0.5000  1
]