data_Li2NbGe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.49
_cell_length_b   4.49
_cell_length_c   4.49
_cell_angle_alpha   122.91
_cell_angle_beta   122.91
_cell_angle_gamma   85.04
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Li2NbGe
_chemical_formula_sum   'Li2 Nb1 Ge1'
_cell_volume   61.07
_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  0.15  0.66  1.0
  Li  Li2  1  0.0  0.0  0.0  1.0
  Nb  Nb3  1  0.15  0.0  0.66  1.0
  Ge  Ge0  1  0.0  0.0  0.31  1.0

data_Li2NbGe
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.29
_cell_length_b   4.29
_cell_length_c   4.49
_cell_angle_alpha   118.55
_cell_angle_beta   118.55
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Li2NbGe
_chemical_formula_sum   'Li2 Nb1 Ge1'
_cell_volume   61.07
_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  Li0  1  0.0  0.0  0.0  1.0
  Li  Li1  1  0.49  0.15  0.49  1.0
  Nb  Nb2  1  0.34  0.0  0.49  1.0
  Ge  Ge3  1  0.69  0.0  0.69  1.0

Li Li Nb Ge
Li Li Nb Ge 0 2 o o o 0 3 o o o 1 3 o o o 2 3 o o o 
Li2NbGe is Copper structured and crystallizes in the triclinic P1 space group. The structure is zero-dimensional and consists of one Li2NbGe cluster. There are two inequivalent Li sites. In the first Li site, Li(1) is bonded in a 2-coordinate geometry to one Nb(1) and one Ge(1) atom. The Li(1)-Nb(1) bond length is 0.89 Å. The Li(1)-Ge(1) bond length is 1.31 Å. In the second Li site, Li(2) is bonded in a distorted single-bond geometry to one Ge(1) atom. The Li(2)-Ge(1) bond length is 1.40 Å. Nb(1) is bonded in a distorted single-bond geometry to one Li(1) and one Ge(1) atom. The Nb(1)-Ge(1) bond length is 1.31 Å. Ge(1) is bonded in a 3-coordinate geometry to one Li(1), one Li(2), and one Nb(1) atom.