data_LiNb2P
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.96
_cell_length_b   2.96
_cell_length_c   8.07
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   105.25
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiNb2P
_chemical_formula_sum   'Li1 Nb2 P1'
_cell_volume   67.98
_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  0.79  0.0  0.37  1.0
  Nb  Nb2  1  0.79  0.0  0.7  1.0
  P  P3  1  0.0  0.0  0.03  1.0

data_LiNb2P
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.96
_cell_length_b   2.96
_cell_length_c   8.07
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   105.25
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiNb2P
_chemical_formula_sum   'Li1 Nb2 P1'
_cell_volume   67.98
_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  0.79  0.0  0.37  1.0
  Nb  Nb2  1  0.79  0.0  0.7  1.0
  P  P3  1  0.0  0.0  0.03  1.0

Li Nb Nb P
LiNb2P crystallizes in the triclinic P1 space group. The structure is zero-dimensional and consists of one LiNb2P cluster. Li(1) is bonded in a single-bond geometry to one Nb(2) and one P(1) atom. The Li(1)-Nb(2) bond length is 2.50 Å. The Li(1)-P(1) bond length is 0.28 Å. There are two inequivalent Nb sites. In the first Nb site, Nb(1) is bonded in a 1-coordinate geometry to one P(1) atom. The Nb(1)-P(1) bond length is 2.77 Å. In the second Nb site, Nb(2) is bonded in a distorted single-bond geometry to one Li(1) atom. P(1) is bonded in a single-bond geometry to one Li(1) and one Nb(1) atom.