data_Li2HfTe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.65
_cell_length_b   3.65
_cell_length_c   6.27
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Li2HfTe
_chemical_formula_sum   'Li2 Hf1 Te1'
_cell_volume   83.73
_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  0.1  1.0
  Li  Li2  1  0.83  0.83  0.46  1.0
  Hf  Hf0  1  0.83  0.83  0.63  1.0
  Te  Te3  1  0.0  0.0  0.22  1.0

data_Li2HfTe
_symmetry_space_group_name_H-M   Cm
_cell_length_a   5.17
_cell_length_b   5.17
_cell_length_c   6.27
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   Li2HfTe
_chemical_formula_sum   'Li4 Hf2 Te2'
_cell_volume   167.46
_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
  Li  Li0  2  0.0  0.0  0.1  1.0
  Li  Li1  2  0.33  0.5  0.46  1.0
  Hf  Hf2  2  0.33  0.5  0.63  1.0
  Te  Te3  2  0.0  0.0  0.22  1.0

Li Li Hf Te
Li2HfTe is Indium-like structured and crystallizes in the monoclinic Cm space group. The structure is zero-dimensional and consists of two Li2HfTe clusters. There are two inequivalent Li sites. In the first Li site, Li(1) is bonded in a single-bond geometry to one Te(1) atom. The Li(1)-Te(1) bond length is 0.81 Å. In the second Li site, Li(2) is bonded in a bent 150 degrees geometry to one Hf(1) and one Te(1) atom. The Li(2)-Hf(1) bond length is 1.08 Å. The Li(2)-Te(1) bond length is 1.71 Å. Hf(1) is bonded in a single-bond geometry to one Li(2) atom. Te(1) is bonded in a bent 150 degrees geometry to one Li(1) and one Li(2) atom.