data_LiNbAs
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.6
_cell_length_b   6.6
_cell_length_c   6.6
_cell_angle_alpha   154.78
_cell_angle_beta   154.78
_cell_angle_gamma   35.97
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiNbAs
_chemical_formula_sum   'Li1 Nb1 As1'
_cell_volume   52.07
_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  0.33  1.0
  Nb  Nb2  1  0.0  0.0  0.19  1.0
  As  As0  1  0.0  0.0  0.04  1.0

data_LiNbAs
_symmetry_space_group_name_H-M   Cm
_cell_length_a   4.07
_cell_length_b   4.07
_cell_length_c   6.6
_cell_angle_alpha   90.0
_cell_angle_beta   107.98
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   LiNbAs
_chemical_formula_sum   'Li2 Nb2 As2'
_cell_volume   104.15
_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  0.33  0.0  0.33  1.0
  Nb  Nb1  2  0.19  0.0  0.19  1.0
  As  As2  2  0.04  0.0  0.04  1.0

Li Nb As
LiNbAs is Cyanogen Chloride-like structured and crystallizes in the monoclinic Cm space group. The structure is zero-dimensional and consists of two LiNbAs clusters. Li(1) is bonded in a single-bond geometry to one Nb(1) atom. The Li(1)-Nb(1) bond length is 0.92 Å. Nb(1) is bonded in a linear geometry to one Li(1) and one As(1) atom. The Nb(1)-As(1) bond length is 0.98 Å. As(1) is bonded in a single-bond geometry to one Nb(1) atom.