data_[Ti8Sb2Pb2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ti  1.5400  1.4000  0.8517
  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 [4.8669]
_cell_length_b [5.6398]
_cell_length_c [8.2672]
_cell_angle_alpha [90.0000]
_cell_angle_beta [91.5526]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [Ti4SbPb]
_chemical_formula_sum '[Ti8 Sb2 Pb2]'
_cell_volume [226.8355]
_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  0.2487  0.5006  0.2435  1.0
  Ti  Ti1  2  0.2706  0.2500  0.6005  1.0
  Ti  Ti2  2  0.3058  0.7500  0.9104  1.0
  Sb  Sb3  2  0.2016  0.2500  0.9284  1.0
  Pb  Pb4  2  0.2385  0.7500  0.5751  1.0
]