data_LiHfTe2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.16
_cell_length_b   5.75
_cell_length_c   4.09
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiHfTe2
_chemical_formula_sum   'Li1 Hf1 Te2'
_cell_volume   97.82
_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
  Li  Li1  1  0.0  0.0  0.53  1.0
  Hf  Hf0  1  0.08  0.87  0.56  1.0
  Te  Te2  1  0.0  0.87  0.6  1.0
  Te  Te3  1  0.08  0.0  0.53  1.0

data_LiHfTe2
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.09
_cell_length_b   4.16
_cell_length_c   5.75
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiHfTe2
_chemical_formula_sum   'Li1 Hf1 Te2'
_cell_volume   97.82
_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
  Li  Li0  1  0.53  0.0  0.0  1.0
  Hf  Hf1  1  0.56  0.08  0.87  1.0
  Te  Te2  1  0.53  0.08  0.0  1.0
  Te  Te3  1  0.6  -0.0  0.87  1.0

Li Hf Te Te
LiHfTe2 is Indium-like structured and crystallizes in the triclinic P1 space group. The structure is zero-dimensional and consists of one LiHfTe2 cluster. Li(1) is bonded in a distorted L-shaped geometry to one Te(1) and one Te(2) atom. The Li(1)-Te(1) bond length is 0.78 Å. The Li(1)-Te(2) bond length is 0.34 Å. Hf(1) is bonded in a distorted L-shaped geometry to one Te(1) and one Te(2) atom. The Hf(1)-Te(1) bond length is 0.37 Å. The Hf(1)-Te(2) bond length is 0.74 Å. There are two inequivalent Te sites. In the first Te site, Te(1) is bonded in a distorted L-shaped geometry to one Li(1) and one Hf(1) atom. In the second Te site, Te(2) is bonded in an L-shaped geometry to one Li(1) and one Hf(1) atom.