data_Ti2OsPb
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.52
_cell_length_b   5.52
_cell_length_c   5.52
_cell_angle_alpha   145.37
_cell_angle_beta   131.38
_cell_angle_gamma   61.06
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ti2OsPb
_chemical_formula_sum   'Ti2 Os1 Pb1'
_cell_volume   71.11
_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  Ti2  1  0.0  0.0  0.07  1.0
  Ti  Ti3  1  0.64  0.0  0.56  1.0
  Os  Os0  1  0.0  0.0  0.6  1.0
  Pb  Pb1  1  0.0  0.27  0.28  1.0

data_Ti2OsPb
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.29
_cell_length_b   4.55
_cell_length_c   5.52
_cell_angle_alpha   114.31
_cell_angle_beta   107.31
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ti2OsPb
_chemical_formula_sum   'Ti2 Os1 Pb1'
_cell_volume   71.11
_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  0.0  0.07  0.07  1.0
  Ti  Ti1  1  0.0  0.56  0.92  1.0
  Os  Os2  1  0.0  0.6  0.6  1.0
  Pb  Pb3  1  0.73  0.0  0.0  1.0

Ti Ti Os Pb
Ti Ti Os Pb 0 3 o o o 0 1 - o - 1 2 + o o 1 3 + o + 
Ti2OsPb crystallizes in the triclinic P1 space group. The structure is zero-dimensional and consists of one Ti2OsPb cluster. There are two inequivalent Ti sites. In the first Ti site, Ti(1) is bonded in a single-bond geometry to one Pb(1) atom. The Ti(1)-Pb(1) bond length is 0.87 Å. In the second Ti site, Ti(2) is bonded in a 2-coordinate geometry to one Os(1) and one Pb(1) atom. The Ti(2)-Os(1) bond length is 1.83 Å. The Ti(2)-Pb(1) bond length is 2.12 Å. Os(1) is bonded in a distorted single-bond geometry to one Ti(2) atom. Pb(1) is bonded in a single-bond geometry to one Ti(1) and one Ti(2) atom.