data_Li2NbSb
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.85
_cell_length_b   5.85
_cell_length_c   2.97
_cell_angle_alpha   103.09
_cell_angle_beta   103.09
_cell_angle_gamma   122.79
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Li2NbSb
_chemical_formula_sum   'Li2 Nb1 Sb1'
_cell_volume   75.28
_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  0.7  0.43  0.31  1.0
  Li  Li1  1  0.7  0.57  0.31  1.0
  Nb  Nb2  1  0.0  0.0  0.0  1.0
  Sb  Sb3  1  0.8  0.0  0.0  1.0

data_Li2NbSb
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.97
_cell_length_b   4.94
_cell_length_c   5.85
_cell_angle_alpha   113.97
_cell_angle_beta   103.09
_cell_angle_gamma   93.71
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Li2NbSb
_chemical_formula_sum   'Li2 Nb1 Sb1'
_cell_volume   75.28
_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  0.74  0.43  0.13  1.0
  Li  Li1  1  0.88  0.57  0.27  1.0
  Nb  Nb2  1  0.0  0.0  0.0  1.0
  Sb  Sb3  1  0.0  0.0  0.8  1.0

Li Li Nb Sb
Li2NbSb crystallizes in the triclinic P1 space group. The structure is zero-dimensional and consists of one Li2NbSb cluster. There are two inequivalent Li sites. In the first Li site, Li(1) is bonded in a 1-coordinate geometry to one Li(2) atom. The Li(1)-Li(2) bond length is 0.80 Å. In the second Li site, Li(2) is bonded in a 2-coordinate geometry to one Li(1) and one Nb(1) atom. The Li(2)-Nb(1) bond length is 2.21 Å. Nb(1) is bonded in a distorted single-bond geometry to one Li(2) and one Sb(1) atom. The Nb(1)-Sb(1) bond length is 1.17 Å. Sb(1) is bonded in a distorted single-bond geometry to one Nb(1) atom.