data_TiPbAu2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.68
_cell_length_b   5.68
_cell_length_c   5.68
_cell_angle_alpha   144.56
_cell_angle_beta   128.1
_cell_angle_gamma   64.42
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TiPbAu2
_chemical_formula_sum   'Ti1 Pb1 Au2'
_cell_volume   82.68
_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  0.33  1.0
  Pb  Pb2  1  0.73  0.0  0.8  1.0
  Au  Au0  1  0.0  0.49  0.76  1.0
  Au  Au1  1  0.0  0.0  0.34  1.0

data_TiPbAu2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.46
_cell_length_b   4.97
_cell_length_c   5.68
_cell_angle_alpha   115.95
_cell_angle_beta   107.72
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TiPbAu2
_chemical_formula_sum   'Ti1 Pb1 Au2'
_cell_volume   82.68
_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  Ti0  1  0.67  0.67  0.67  1.0
  Pb  Pb1  1  0.93  0.2  0.93  1.0
  Au  Au2  1  0.24  0.73  0.73  1.0
  Au  Au3  1  0.66  0.66  0.66  1.0

Ti Pb Au Au
Ti Pb Au Au 0 3 o o o 0 1 - o - 0 2 o - - 0 2 o o o 1 2 + - o 1 3 + o + 2 3 o + + 2 3 o o o 
TiAu2Pb crystallizes in the triclinic P1 space group. The structure is zero-dimensional and consists of one TiAu2Pb cluster. Ti(1) is bonded in a single-bond geometry to one Au(1), one Au(2), and one Pb(1) atom. The Ti(1)-Au(1) bond length is 1.90 Å. The Ti(1)-Au(2) bond length is 0.01 Å. The Ti(1)-Pb(1) bond length is 2.41 Å. There are two inequivalent Au sites. In the first Au site, Au(1) is bonded in a 1-coordinate geometry to one Ti(1) and one Pb(1) atom. The Au(1)-Pb(1) bond length is 2.53 Å. In the second Au site, Au(2) is bonded in a single-bond geometry to one Ti(1) atom. Pb(1) is bonded in a 2-coordinate geometry to one Ti(1) and one Au(1) atom.