data_Li2NbPd
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.81
_cell_length_b   4.69
_cell_length_c   4.9
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Li2NbPd
_chemical_formula_sum   'Li2 Nb1 Pd1'
_cell_volume   64.45
_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  0.4  0.35  0.0  1.0
  Nb  Nb2  1  0.4  0.0  0.45  1.0
  Pd  Pd3  1  0.0  0.35  0.45  1.0

data_Li2NbPd
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.81
_cell_length_b   4.69
_cell_length_c   4.9
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Li2NbPd
_chemical_formula_sum   'Li2 Nb1 Pd1'
_cell_volume   64.45
_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  0.4  0.35  -0.0  1.0
  Nb  Nb2  1  0.4  0.0  0.45  1.0
  Pd  Pd3  1  0.0  0.35  0.45  1.0

Li Li Nb Pd
Li Li Nb Pd 0 1 - o o 0 1 o o o 0 2 o o o 1 3 o o o 2 3 o o o 2 3 + o o 
Li2NbPd crystallizes in the triclinic P1 space group. The structure is zero-dimensional and consists of one Li2NbPd cluster. There are two inequivalent Li sites. In the first Li site, Li(1) is bonded in a 2-coordinate geometry to one Li(2) and one Nb(1) atom. The Li(1)-Li(2) bond length is 1.98 Å. The Li(1)-Nb(1) bond length is 2.47 Å. In the second Li site, Li(2) is bonded in a 1-coordinate geometry to one Li(1) and one Pd(1) atom. The Li(2)-Pd(1) bond length is 2.47 Å. Nb(1) is bonded in a 1-coordinate geometry to one Li(1) and one Pd(1) atom. The Nb(1)-Pd(1) bond length is 1.98 Å. Pd(1) is bonded in a 1-coordinate geometry to one Li(2) and one Nb(1) atom.