data_[Bi6Sb2Pb12]
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 [P2_1/m]
_cell_length_a [12.0503]
_cell_length_b [4.7240]
_cell_length_c [13.0310]
_cell_angle_alpha [90.0000]
_cell_angle_beta [110.2530]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [Bi3SbPb6]
_chemical_formula_sum '[Bi6 Sb2 Pb12]'
_cell_volume [695.9288]
_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  0.0732  0.7500  0.8329  1.0
  Bi  Bi1  2  0.1702  0.7500  0.5045  1.0
  Bi  Bi2  2  0.3469  0.2500  0.8883  1.0
  Sb  Sb3  2  0.4331  0.7500  0.3275  1.0
  Pb  Pb4  2  0.1177  0.2500  0.6520  1.0
  Pb  Pb5  2  0.1286  0.2500  0.0280  1.0
  Pb  Pb6  2  0.1305  0.7500  0.2349  1.0
  Pb  Pb7  2  0.3488  0.2500  0.4594  1.0
  Pb  Pb8  2  0.3619  0.7500  0.0628  1.0
  Pb  Pb9  2  0.4092  0.7500  0.7223  1.0
]