data_[Ti8Bi2Pb2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ti  1.5400  1.4000  0.8517
  Bi  2.0200  1.6000  1.0350
  Pb  2.3300  1.8000  1.1225
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [4.9325]
_cell_length_b [5.6910]
_cell_length_c [8.3762]
_cell_angle_alpha [90.0000]
_cell_angle_beta [91.2586]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [Ti4BiPb]
_chemical_formula_sum '[Ti8 Bi2 Pb2]'
_cell_volume [235.0707]
_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
[
  Ti  Ti0  4  0.2557  0.0019  0.2511  1.0
  Ti  Ti1  2  0.2790  0.2500  0.5925  1.0
  Ti  Ti2  2  0.3121  0.7500  0.9040  1.0
  Bi  Bi3  2  0.1991  0.2500  0.9260  1.0
  Pb  Pb4  2  0.2296  0.7500  0.5753  1.0
]