data_[Bi12Pd4Au8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Bi  2.0200  1.6000  1.0350
  Pd  2.2000  1.4000  0.8462
  Au  2.5400  1.3500  1.0700
]
_symmetry_space_group_name_H-M [Pnma]
_cell_length_a [12.1096]
_cell_length_b [4.2764]
_cell_length_c [11.4406]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [62]
_chemical_formula_structural [Bi3PdAu2]
_chemical_formula_sum '[Bi12 Pd4 Au8]'
_cell_volume [592.4540]
_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  0.0562  0.2500  0.3825  1
  Bi  Bi1  4  0.1117  0.7500  0.9515  1
  Bi  Bi2  4  0.2349  0.2500  0.7085  1
  Pd  Pd3  4  0.1226  0.2500  0.1279  1
  Au  Au4  4  0.0072  0.2500  0.7872  1
  Au  Au5  4  0.1710  0.7500  0.5207  1
]