data_HfTi2Sb
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.03
_cell_length_b   4.22
_cell_length_c   4.45
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   HfTi2Sb
_chemical_formula_sum   'Hf1 Ti2 Sb1'
_cell_volume   75.8
_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
  Hf  Hf0  1  0.02  0.11  0.0  1.0
  Ti  Ti2  1  0.0  0.0  0.0  1.0
  Ti  Ti3  1  0.0  0.11  0.23  1.0
  Sb  Sb1  1  0.02  0.0  0.23  1.0

data_HfTi2Sb
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.03
_cell_length_b   4.22
_cell_length_c   4.45
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   HfTi2Sb
_chemical_formula_sum   'Hf1 Ti2 Sb1'
_cell_volume   75.8
_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
  Hf  Hf0  1  0.02  0.11  0.0  1.0
  Ti  Ti1  1  0.0  0.0  0.0  1.0
  Ti  Ti2  1  0.0  0.11  0.23  1.0
  Sb  Sb3  1  0.02  0.0  0.23  1.0

Hf Ti Ti Sb
HfTi2Sb is alpha Po structured and crystallizes in the triclinic P1 space group. The structure is zero-dimensional and consists of one HfTi2Sb cluster. Hf(1) is bonded in a distorted single-bond geometry to one Ti(1) atom. The Hf(1)-Ti(1) bond length is 0.47 Å. There are two inequivalent Ti sites. In the first Ti site, Ti(1) is bonded in a distorted L-shaped geometry to one Hf(1) and one Sb(1) atom. The Ti(1)-Sb(1) bond length is 1.01 Å. In the second Ti site, Ti(2) is bonded in a distorted single-bond geometry to one Sb(1) atom. The Ti(2)-Sb(1) bond length is 0.47 Å. Sb(1) is bonded in a distorted single-bond geometry to one Ti(1) and one Ti(2) atom.