data_[La16Bi6Pb6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  La  1.1000  1.9500  1.1720
  Bi  2.0200  1.6000  1.0350
  Pb  2.3300  1.8000  1.1225
]
_symmetry_space_group_name_H-M [C2]
_cell_length_a [14.0002]
_cell_length_b [9.8953]
_cell_length_c [9.8781]
_cell_angle_alpha [90.0000]
_cell_angle_beta [134.9023]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [5]
_chemical_formula_structural [La8(BiPb)3]
_chemical_formula_sum '[La16 Bi6 Pb6]'
_cell_volume [969.3008]
_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
[
  La  La0  4  0.0710  0.0706  0.2520  1.0
  La  La1  4  0.0723  0.4283  0.3931  1.0
  La  La2  4  0.1770  0.8210  0.7477  1.0
  La  La3  4  0.1787  0.6801  0.1090  1.0
  Bi  Bi4  4  0.2496  0.5005  0.8751  1.0
  Bi  Bi5  2  0.0000  0.3737  0.0000  1.0
  Pb  Pb6  4  0.1243  0.7494  0.3748  1.0
  Pb  Pb7  2  0.0000  0.1263  0.5000  1.0
]