data_LiNb2V
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.28
_cell_length_b   3.28
_cell_length_c   5.92
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiNb2V
_chemical_formula_sum   'Li1 Nb2 V1'
_cell_volume   63.78
_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  0.38  1.0
  Nb  Nb1  1  0.64  0.64  0.02  1.0
  Nb  Nb2  1  0.0  0.0  0.56  1.0
  V  V3  1  0.64  0.64  0.92  1.0

data_LiNb2V
_symmetry_space_group_name_H-M   Cm
_cell_length_a   4.64
_cell_length_b   4.64
_cell_length_c   5.92
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   LiNb2V
_chemical_formula_sum   'Li2 Nb4 V2'
_cell_volume   127.56
_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  0.38  1.0
  Nb  Nb1  2  0.0  0.0  0.56  1.0
  Nb  Nb2  2  0.14  0.5  0.02  1.0
  V  V3  2  0.14  0.5  0.92  1.0

Li Nb Nb V
Li Nb Nb V 0 2 o o o 1 3 o o - 
NbLiNbV is High Pressure Cadmuum Telluride structured and crystallizes in the monoclinic Cm space group. The structure is zero-dimensional and consists of two NbLi clusters and two NbV clusters. In each NbLi cluster, Li(1) is bonded in a single-bond geometry to one Nb(2) atom. The Li(1)-Nb(2) bond length is 1.03 Å. Nb(2) is bonded in a single-bond geometry to one Li(1) atom. In each NbV cluster, Nb(1) is bonded in a distorted single-bond geometry to one V(1) atom. The Nb(1)-V(1) bond length is 0.62 Å. V(1) is bonded in a single-bond geometry to one Nb(1) atom.