data_[Bi2Sb6Pb12]
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 [12.6744]
_cell_length_b [4.6344]
_cell_length_c [13.2312]
_cell_angle_alpha [90.0000]
_cell_angle_beta [116.6671]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [Bi(SbPb2)3]
_chemical_formula_sum '[Bi2 Sb6 Pb12]'
_cell_volume [694.5092]
_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  0.3809  0.7500  0.2979  1.0
  Sb  Sb1  2  0.0654  0.7500  0.8737  1.0
  Sb  Sb2  2  0.1937  0.7500  0.5322  1.0
  Sb  Sb3  2  0.3574  0.2500  0.8623  1.0
  Pb  Pb4  2  0.1069  0.7500  0.2694  1.0
  Pb  Pb5  2  0.1186  0.2500  0.6418  1.0
  Pb  Pb6  2  0.1460  0.2500  0.0605  1.0
  Pb  Pb7  2  0.3583  0.7500  0.0150  1.0
  Pb  Pb8  2  0.3643  0.2500  0.4708  1.0
  Pb  Pb9  2  0.4441  0.7500  0.7395  1.0
]