data_[Bi2Pd8Au6]
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 [Imm2]
_cell_length_a [5.6324]
_cell_length_b [9.5272]
_cell_length_c [5.4899]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [44]
_chemical_formula_structural [BiPd4Au3]
_chemical_formula_sum '[Bi2 Pd8 Au6]'
_cell_volume [294.5954]
_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  2  0.0000  0.5000  0.7172  1
  Pd  Pd1  4  0.0000  0.2379  0.9028  1
  Pd  Pd2  4  0.2450  0.0000  0.6743  1
  Au  Au3  4  0.0000  0.2585  0.4010  1
  Au  Au4  2  0.0000  0.0000  0.1756  1
]