data_[Bi2Pb2Au2]
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 [5.0448]
_cell_length_b [5.1038]
_cell_length_c [6.7747]
_cell_angle_alpha [90.0000]
_cell_angle_beta [110.1295]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [BiPbAu]
_chemical_formula_sum '[Bi2 Pb2 Au2]'
_cell_volume [163.7803]
_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  0.3948  0.2500  0.7883  1.0
  Pb  Pb1  2  0.1062  0.2500  0.2123  1.0
  Au  Au2  2  0.2511  0.7500  0.4968  1.0
]