data_[Ti14Bi4Pb4]
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 [C2/m]
_cell_length_a [9.7996]
_cell_length_b [9.9720]
_cell_length_c [5.4758]
_cell_angle_alpha [90.0000]
_cell_angle_beta [118.9148]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Ti7(BiPb)2]
_chemical_formula_sum '[Ti14 Bi4 Pb4]'
_cell_volume [468.3965]
_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  8  0.1683  0.2363  0.7098  1
  Ti  Ti1  4  0.2329  0.5000  0.9756  1
  Ti  Ti2  2  0.0000  0.0000  0.5000  1
  Bi  Bi3  4  0.1446  0.5000  0.3877  1
  Pb  Pb4  4  0.0000  0.1718  0.0000  1
]