data_HfTiTe2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.55
_cell_length_b   9.55
_cell_length_c   9.55
_cell_angle_alpha   21.5
_cell_angle_beta   21.5
_cell_angle_gamma   21.5
_symmetry_Int_Tables_number   1
_chemical_formula_structural   HfTiTe2
_chemical_formula_sum   'Hf1 Ti1 Te2'
_cell_volume   102.36
_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  0.89  1.0
  Ti  Ti3  1  0.0  0.0  0.95  1.0
  Te  Te1  1  0.0  0.0  0.6  1.0
  Te  Te2  1  0.0  0.0  0.48  1.0

data_HfTiTe2
_symmetry_space_group_name_H-M   Cm
_cell_length_a   6.17
_cell_length_b   3.56
_cell_length_c   9.55
_cell_angle_alpha   90.0
_cell_angle_beta   102.44
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   HfTiTe2
_chemical_formula_sum   'Hf2 Ti2 Te4'
_cell_volume   204.72
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  'x, -y, z'
  3  'x+1/2, y+1/2, z'
  4  'x+1/2, -y+1/2, 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  2  -0.0  0.0  0.11  1.0
  Ti  Ti1  2  -0.0  0.0  0.05  1.0
  Te  Te2  2  -0.0  0.0  0.4  1.0
  Te  Te3  2  -0.0  0.0  0.52  1.0

Hf Ti Te Te
HfTiTe2 is Cyanogen Chloride-like structured and crystallizes in the monoclinic Cm space group. The structure is zero-dimensional and consists of two HfTiTe2 clusters. Hf(1) is bonded in a single-bond geometry to one Ti(1) and one Te(1) atom. The Hf(1)-Ti(1) bond length is 0.55 Å. The Hf(1)-Te(1) bond length is 2.78 Å. Ti(1) is bonded in a single-bond geometry to one Hf(1) atom. There are two inequivalent Te sites. In the first Te site, Te(1) is bonded in a linear geometry to one Hf(1) and one Te(2) atom. The Te(1)-Te(2) bond length is 1.13 Å. In the second Te site, Te(2) is bonded in a single-bond geometry to one Te(1) atom.