data_LiNb2Te
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.36
_cell_length_b   5.36
_cell_length_c   5.36
_cell_angle_alpha   140.48
_cell_angle_beta   132.54
_cell_angle_gamma   63.42
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiNb2Te
_chemical_formula_sum   'Li1 Nb2 Te1'
_cell_volume   71.32
_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  0.0  0.0  0.0  1.0
  Nb  Nb1  1  0.0  0.16  0.27  1.0
  Nb  Nb2  1  0.81  0.0  0.29  1.0
  Te  Te3  1  0.0  0.0  0.56  1.0

data_LiNb2Te
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.62
_cell_length_b   4.31
_cell_length_c   5.36
_cell_angle_alpha   113.73
_cell_angle_beta   109.76
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiNb2Te
_chemical_formula_sum   'Li1 Nb2 Te1'
_cell_volume   71.32
_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  0.0  0.0  0.0  1.0
  Nb  Nb1  1  0.0  0.29  0.48  1.0
  Nb  Nb2  1  0.84  0.12  0.12  1.0
  Te  Te3  1  0.0  0.56  0.56  1.0

Li Nb Nb Te
Li Nb Nb Te 0 1 o o o 2 3 + o o 
LiNb2Te is Indium-like structured and crystallizes in the triclinic P1 space group. The structure is zero-dimensional and consists of one LiNb2Te cluster. Li(1) is bonded in a 1-coordinate geometry to one Nb(1) and one Te(1) atom. The Li(1)-Nb(1) bond length is 0.97 Å. The Li(1)-Te(1) bond length is 2.36 Å. There are two inequivalent Nb sites. In the first Nb site, Nb(1) is bonded in a distorted single-bond geometry to one Li(1) atom. In the second Nb site, Nb(2) is bonded in a distorted single-bond geometry to one Te(1) atom. The Nb(2)-Te(1) bond length is 1.08 Å. Te(1) is bonded in a 2-coordinate geometry to one Li(1) and one Nb(2) atom.