data_[Bi12Pb4]
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
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [9.4580]
_cell_length_b [8.9718]
_cell_length_c [7.1608]
_cell_angle_alpha [90.0000]
_cell_angle_beta [115.4127]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Bi3Pb]
_chemical_formula_sum '[Bi12 Pb4]'
_cell_volume [548.8428]
_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  0.1201  0.2961  0.2444  1.0
  Bi  Bi1  4  0.0713  0.0000  0.7430  1.0
  Pb  Pb2  4  0.1639  0.5000  0.7244  1.0
]