data_[Bi6Pd8Au2]
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 [5.8782]
_cell_length_b [10.5072]
_cell_length_c [5.5162]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [44]
_chemical_formula_structural [Bi3Pd4Au]
_chemical_formula_sum '[Bi6 Pd8 Au2]'
_cell_volume [340.7027]
_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  0.0000  0.2990  0.6150  1
  Bi  Bi1  2  0.0000  0.0000  0.8529  1
  Pd  Pd2  4  0.0000  0.2339  0.1195  1
  Pd  Pd3  4  0.2401  0.0000  0.3040  1
  Au  Au4  2  0.0000  0.5000  0.2212  1
]