data_[Bi4Pb2Au4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Bi  2.0200  1.6000  1.0350
  Pb  2.3300  1.8000  1.1225
  Au  2.5400  1.3500  1.0700
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [5.7198]
_cell_length_b [4.4887]
_cell_length_c [10.9305]
_cell_angle_alpha [90.0000]
_cell_angle_beta [99.1815]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [Bi2PbAu2]
_chemical_formula_sum '[Bi4 Pb2 Au4]'
_cell_volume [277.0339]
_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  0.0980  0.7500  0.8675  1
  Bi  Bi1  2  0.2345  0.2500  0.4558  1
  Pb  Pb2  2  0.4146  0.7500  0.2276  1
  Au  Au3  2  0.2897  0.7500  0.6319  1
  Au  Au4  2  0.3398  0.2500  0.9998  1
]