data_[Tl20Bi4Au4]
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 [Imma]
_cell_length_a [8.4394]
_cell_length_b [9.1362]
_cell_length_c [11.6672]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [74]
_chemical_formula_structural [Tl5BiAu]
_chemical_formula_sum '[Tl20 Bi4 Au4]'
_cell_volume [899.5855]
_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  0.1983  0.2500  0.5087  1
  Tl  Tl1  8  0.2500  0.0379  0.2500  1
  Tl  Tl2  4  0.0000  0.2500  0.7785  1
  Bi  Bi3  4  0.0000  0.0000  0.0000  1
  Au  Au4  4  0.0000  0.2500  0.1780  1
]