data_HfTi2Te
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.18
_cell_length_b   3.18
_cell_length_c   8.47
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   107.69
_symmetry_Int_Tables_number   1
_chemical_formula_structural   HfTi2Te
_chemical_formula_sum   'Hf1 Ti2 Te1'
_cell_volume   81.7
_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  0.0  0.0  0.23  1.0
  Ti  Ti2  1  0.88  0.0  0.05  1.0
  Ti  Ti3  1  0.88  0.0  0.42  1.0
  Te  Te1  1  0.0  0.0  0.0  1.0

data_HfTi2Te
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.18
_cell_length_b   3.18
_cell_length_c   8.47
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   107.69
_symmetry_Int_Tables_number   1
_chemical_formula_structural   HfTi2Te
_chemical_formula_sum   'Hf1 Ti2 Te1'
_cell_volume   81.7
_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  0.0  0.0  0.23  1.0
  Ti  Ti1  1  0.88  0.0  0.05  1.0
  Ti  Ti2  1  0.88  0.0  0.42  1.0
  Te  Te3  1  0.0  0.0  0.0  1.0

Hf Ti Ti Te
HfTi2Te crystallizes in the triclinic P1 space group. The structure is zero-dimensional and consists of one HfTi2Te cluster. Hf(1) is bonded in a bent 150 degrees geometry to one Ti(1) and one Ti(2) atom. The Hf(1)-Ti(1) bond length is 1.60 Å. The Hf(1)-Ti(2) bond length is 1.60 Å. There are two inequivalent Ti sites. In the first Ti site, Ti(1) is bonded in a distorted single-bond geometry to one Hf(1) and one Te(1) atom. The Ti(1)-Te(1) bond length is 0.58 Å. In the second Ti site, Ti(2) is bonded in a single-bond geometry to one Hf(1) atom. Te(1) is bonded in a single-bond geometry to one Ti(1) atom.