data_[Bi24Pd12Au4]
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 [Cmc2_1]
_cell_length_a [10.5098]
_cell_length_b [14.0875]
_cell_length_c [7.2257]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [36]
_chemical_formula_structural [Bi6Pd3Au]
_chemical_formula_sum '[Bi24 Pd12 Au4]'
_cell_volume [1069.8139]
_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  0.1683  0.4799  0.1845  1.0
  Bi  Bi1  8  0.1699  0.2750  0.7203  1.0
  Bi  Bi2  4  0.0000  0.0011  0.7325  1.0
  Bi  Bi3  4  0.0000  0.2396  0.1201  1.0
  Pd  Pd4  8  0.1797  0.1109  0.9675  1.0
  Pd  Pd5  4  0.0000  0.4053  0.9000  1.0
  Au  Au6  4  0.0000  0.1675  0.4882  1.0
]