data_[Tl20Pb4Au4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tl  1.6200  1.9000  1.3325
  Pb  2.3300  1.8000  1.1225
  Au  2.5400  1.3500  1.0700
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [10.5583]
_cell_length_b [7.1849]
_cell_length_c [11.9410]
_cell_angle_alpha [90.0000]
_cell_angle_beta [107.3547]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [Tl5PbAu]
_chemical_formula_sum '[Tl20 Pb4 Au4]'
_cell_volume [864.6048]
_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  0.1461  0.3657  0.0525  1.0
  Tl  Tl1  8  0.2357  0.1836  0.6420  1.0
  Tl  Tl2  4  0.0000  0.4093  0.7500  1.0
  Pb  Pb3  4  0.0000  0.0607  0.2500  1.0
  Au  Au4  4  0.0000  0.0000  0.0000  1.0
]