data_TiPb
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.35
_cell_length_b   3.2
_cell_length_c   5.04
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TiPb
_chemical_formula_sum   'Ti2 Pb2'
_cell_volume   86.28
_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  Ti2  1  0.01  0.0  0.6  1.0
  Ti  Ti3  1  0.34  0.0  0.44  1.0
  Pb  Pb0  1  0.34  0.6  0.99  1.0
  Pb  Pb1  1  0.01  0.6  0.05  1.0

data_TiPb
_symmetry_space_group_name_H-M   P2
_cell_length_a   5.04
_cell_length_b   3.2
_cell_length_c   5.35
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   3
_chemical_formula_structural   TiPb
_chemical_formula_sum   'Ti2 Pb2'
_cell_volume   86.28
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '-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  2  0.42  0.0  0.16  1.0
  Pb  Pb1  2  0.03  0.4  0.84  1.0

Ti Ti Pb Pb
PbTi crystallizes in the monoclinic P2 space group. Ti(1) is bonded in a 10-coordinate geometry to four equivalent Ti(1) and six equivalent Pb(1) atoms. There are a spread of Ti(1)-Ti(1) bond distances ranging from 1.94-3.70 Å. There are a spread of Ti(1)-Pb(1) bond distances ranging from 2.59-3.38 Å. Pb(1) is bonded in a 2-coordinate geometry to six equivalent Ti(1) and one Pb(1) atom. The Pb(1)-Pb(1) bond length is 1.77 Å.