data_[Bi8Sb4Pb12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Bi  2.0200  1.6000  1.0350
  Sb  2.0500  1.4500  0.8300
  Pb  2.3300  1.8000  1.1225
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [13.3744]
_cell_length_b [6.9996]
_cell_length_c [8.7979]
_cell_angle_alpha [90.0000]
_cell_angle_beta [103.3054]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [Bi2SbPb3]
_chemical_formula_sum '[Bi8 Sb4 Pb12]'
_cell_volume [801.5088]
_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  0.1682  0.3678  0.0840  1.0
  Sb  Sb1  4  0.0000  0.1404  0.2500  1.0
  Pb  Pb2  8  0.1596  0.0977  0.5799  1.0
  Pb  Pb3  4  0.0000  0.4044  0.7500  1.0
]