data_[Bi20Pd8Au8]
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 [Ima2]
_cell_length_a [16.6991]
_cell_length_b [7.5933]
_cell_length_c [7.2692]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [46]
_chemical_formula_structural [Bi5(PdAu)2]
_chemical_formula_sum '[Bi20 Pd8 Au8]'
_cell_volume [921.7334]
_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  8  0.0792  0.6558  0.2891  1.0
  Bi  Bi1  8  0.1511  0.2035  0.1363  1.0
  Bi  Bi2  4  0.2500  0.6216  0.9703  1.0
  Pd  Pd3  8  0.0861  0.0056  0.4377  1.0
  Au  Au4  4  0.0000  0.0000  0.1047  1.0
  Au  Au5  4  0.2500  0.5050  0.3628  1.0
]