data_TiNbPb2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.69
_cell_length_b   4.69
_cell_length_c   3.9
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TiNbPb2
_chemical_formula_sum   'Ti1 Nb1 Pb2'
_cell_volume   85.74
_cell_formula_units_Z   1
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  Ti3  1  0.0  0.0  0.0  1.0
  Nb  Nb0  1  0.34  0.34  0.0  1.0
  Pb  Pb1  1  0.34  0.0  0.95  1.0
  Pb  Pb2  1  0.0  0.34  0.95  1.0

data_TiNbPb2
_symmetry_space_group_name_H-M   Cm
_cell_length_a   6.63
_cell_length_b   6.63
_cell_length_c   3.9
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   TiNbPb2
_chemical_formula_sum   'Ti2 Nb2 Pb4'
_cell_volume   171.48
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  'x, -y, z'
  3  'x+1/2, y+1/2, z'
  4  'x+1/2, -y+1/2, 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  0.0  0.0  0.0  1.0
  Nb  Nb1  2  0.34  0.0  0.0  1.0
  Pb  Pb2  4  0.17  0.17  0.95  1.0

Ti Nb Pb Pb
Ti Nb Pb Pb 0 2 o o - 0 3 o o - 1 3 o o - 1 2 o o - 
TiNbPb2 is alpha Po structured and crystallizes in the monoclinic Cm space group. The structure is zero-dimensional and consists of two TiNbPb2 clusters. Ti(1) is bonded in an L-shaped geometry to two equivalent Pb(1) atoms. Both Ti(1)-Pb(1) bond lengths are 1.62 Å. Nb(1) is bonded in an L-shaped geometry to two equivalent Pb(1) atoms. Both Nb(1)-Pb(1) bond lengths are 1.62 Å. Pb(1) is bonded in an L-shaped geometry to one Ti(1) and one Nb(1) atom.