data_Li2LaNb
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.46
_cell_length_b   3.46
_cell_length_c   6.78
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Li2LaNb
_chemical_formula_sum   'Li2 La1 Nb1'
_cell_volume   81.09
_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  0.73  0.73  0.38  1.0
  Li  Li2  1  0.73  0.73  0.41  1.0
  La  La0  1  0.0  0.0  0.39  1.0
  Nb  Nb3  1  0.0  0.0  0.0  1.0

data_Li2LaNb
_symmetry_space_group_name_H-M   Cm
_cell_length_a   4.89
_cell_length_b   4.89
_cell_length_c   6.78
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   Li2LaNb
_chemical_formula_sum   'Li4 La2 Nb2'
_cell_volume   162.19
_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  0.23  0.5  0.38  1.0
  Li  Li1  2  0.23  0.5  0.41  1.0
  La  La2  2  0.0  0.0  0.39  1.0
  Nb  Nb3  2  0.0  0.0  0.0  1.0

Li Li La Nb
Li2LaNb is Indium-like structured and crystallizes in the monoclinic Cm space group. The structure is zero-dimensional and consists of two Li2LaNb clusters. There are two inequivalent Li sites. In the first Li site, Li(1) is bonded in a single-bond geometry to one Li(2), one La(1), and one Nb(1) atom. The Li(1)-Li(2) bond length is 0.20 Å. The Li(1)-La(1) bond length is 1.33 Å. The Li(1)-Nb(1) bond length is 2.87 Å. In the second Li site, Li(2) is bonded in a single-bond geometry to one Li(1) and one La(1) atom. The Li(2)-La(1) bond length is 1.33 Å. La(1) is bonded in a distorted T-shaped geometry to one Li(1), one Li(2), and one Nb(1) atom. The La(1)-Nb(1) bond length is 2.65 Å. Nb(1) is bonded in a 2-coordinate geometry to one Li(1) and one La(1) atom.