data_[Bi8Pd2Au2]
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 [P2_1/c]
_cell_length_a [6.9604]
_cell_length_b [6.9584]
_cell_length_c [6.9505]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0521]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [Bi4PdAu]
_chemical_formula_sum '[Bi8 Pd2 Au2]'
_cell_volume [336.6357]
_cell_formula_units_Z [2]
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  0.1375  0.6253  0.1239  1.0
  Bi  Bi1  4  0.3798  0.1333  0.1342  1.0
  Pd  Pd2  2  0.5000  0.0000  0.5000  1.0
  Au  Au3  2  0.0000  0.0000  0.0000  1.0
]