data_Ti2InSb
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.5
_cell_length_b   4.77
_cell_length_c   4.99
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ti2InSb
_chemical_formula_sum   'Ti2 In1 Sb1'
_cell_volume   83.53
_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  0.0  1.0
  Ti  Ti3  1  0.75  0.0  0.5  1.0
  In  In0  1  0.75  0.39  0.0  1.0
  Sb  Sb1  1  0.0  0.39  0.5  1.0

data_Ti2InSb
_symmetry_space_group_name_H-M   Pm
_cell_length_a   3.5
_cell_length_b   4.99
_cell_length_c   4.77
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   6
_chemical_formula_structural   Ti2InSb
_chemical_formula_sum   'Ti2 In1 Sb1'
_cell_volume   83.53
_cell_formula_units_Z   1
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  1  0.0  0.0  0.0  1.0
  Ti  Ti1  1  0.75  0.5  0.0  1.0
  In  In2  1  0.75  0.0  0.39  1.0
  Sb  Sb3  1  0.0  0.5  0.39  1.0

Ti Ti In Sb
Ti Ti In Sb 0 2 - o o 1 3 + o o 
TiInTiSb crystallizes in the triclinic P1 space group. The structure is zero-dimensional and consists of one TiIn cluster and one TiSb cluster. In the TiIn cluster, Ti(1) is bonded in a distorted single-bond geometry to one In(1) atom. The Ti(1)-In(1) bond length is 2.04 Å. In(1) is bonded in a 1-coordinate geometry to one Ti(1) atom. In the TiSb cluster, Ti(2) is bonded in a distorted single-bond geometry to one Sb(1) atom. The Ti(2)-Sb(1) bond length is 2.04 Å. Sb(1) is bonded in a distorted single-bond geometry to one Ti(2) atom.