data_[Bi6Pd8Au4]
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 [C2/m]
_cell_length_a [9.7968]
_cell_length_b [3.7638]
_cell_length_c [10.1594]
_cell_angle_alpha [90.0000]
_cell_angle_beta [94.3612]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Bi3(Pd2Au)2]
_chemical_formula_sum '[Bi6 Pd8 Au4]'
_cell_volume [373.5284]
_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  0.0981  0.5000  0.6465  1.0
  Bi  Bi1  2  0.0000  0.0000  0.0000  1.0
  Pd  Pd2  4  0.1343  0.0000  0.4390  1.0
  Pd  Pd3  4  0.1862  0.5000  0.9123  1.0
  Au  Au4  4  0.1592  0.5000  0.2193  1.0
]