data_[Tl4Pb12Au4]
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 [Pnma]
_cell_length_a [11.4740]
_cell_length_b [3.6012]
_cell_length_c [14.1189]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [62]
_chemical_formula_structural [TlPb3Au]
_chemical_formula_sum '[Tl4 Pb12 Au4]'
_cell_volume [583.3930]
_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  0.1636  0.2500  0.0169  1
  Pb  Pb1  4  0.0504  0.2500  0.6043  1
  Pb  Pb2  4  0.0665  0.7500  0.8194  1
  Pb  Pb3  4  0.1962  0.7500  0.2381  1
  Au  Au4  4  0.1648  0.2500  0.4092  1
]