data_[Bi4Pb24Au12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Bi  2.0200  1.6000  1.0350
  Pb  2.3300  1.8000  1.1225
  Au  2.5400  1.3500  1.0700
]
_symmetry_space_group_name_H-M [Cmc2_1]
_cell_length_a [11.3929]
_cell_length_b [14.4943]
_cell_length_c [6.9862]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [36]
_chemical_formula_structural [Bi(Pb2Au)3]
_chemical_formula_sum '[Bi4 Pb24 Au12]'
_cell_volume [1153.6468]
_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
[
  Bi  Bi0  4  0.0000  0.2014  0.1101  1
  Pb  Pb1  8  0.1741  0.4717  0.6266  1
  Pb  Pb2  8  0.2406  0.2974  0.3011  1
  Pb  Pb3  4  0.0000  0.0264  0.7479  1
  Pb  Pb4  4  0.0000  0.2571  0.6136  1
  Au  Au5  8  0.1685  0.1081  0.4297  1
  Au  Au6  4  0.0000  0.4018  0.2989  1
]