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 [Pnma]
_cell_length_a [20.2947]
_cell_length_b [4.3404]
_cell_length_c [9.1062]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [62]
_chemical_formula_structural [Bi2SbPb3]
_chemical_formula_sum '[Bi8 Sb4 Pb12]'
_cell_volume [802.1428]
_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  4  0.0504  0.2500  0.9061  1
  Bi  Bi1  4  0.1227  0.7500  0.3809  1
  Sb  Sb2  4  0.2248  0.2500  0.2432  1
  Pb  Pb3  4  0.0075  0.7500  0.6564  1
  Pb  Pb4  4  0.1627  0.2500  0.6448  1
  Pb  Pb5  4  0.1670  0.7500  0.9972  1
]