data_[Bi4Pd20Au8]
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 [I4/mcm]
_cell_length_a [7.1122]
_cell_length_b [7.1122]
_cell_length_c [11.3654]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [140]
_chemical_formula_structural [BiPd5Au2]
_chemical_formula_sum '[Bi4 Pd20 Au8]'
_cell_volume [574.8973]
_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  0.0000  0.2500  1.0
  Pd  Pd1  16  0.1467  0.3533  0.3351  1.0
  Pd  Pd2  4  0.0000  0.0000  0.0000  1.0
  Au  Au3  8  0.1457  0.3543  0.0000  1.0
]