data_[Bi6Pb12Au2]
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/c]
_cell_length_a [7.0176]
_cell_length_b [9.7486]
_cell_length_c [11.0133]
_cell_angle_alpha [90.0000]
_cell_angle_beta [120.3686]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [Bi3Pb6Au]
_chemical_formula_sum '[Bi6 Pb12 Au2]'
_cell_volume [650.0638]
_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  0.2706  0.6014  0.1940  1.0
  Bi  Bi1  2  0.5000  0.0000  0.5000  1.0
  Pb  Pb2  4  0.0371  0.6245  0.7567  1.0
  Pb  Pb3  4  0.2547  0.2422  0.5860  1.0
  Pb  Pb4  4  0.4015  0.6387  0.5512  1.0
  Au  Au5  2  0.0000  0.0000  0.0000  1.0
]