data_Li2GaPd
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.61
_cell_length_b   4.61
_cell_length_c   4.61
_cell_angle_alpha   130.82
_cell_angle_beta   130.82
_cell_angle_gamma   72.1
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Li2GaPd
_chemical_formula_sum   'Li2 Ga1 Pd1'
_cell_volume   55.02
_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  0.92  0.87  1.0
  Li  Li2  1  0.0  0.0  0.0  1.0
  Ga  Ga0  1  0.0  0.0  0.73  1.0
  Pd  Pd3  1  0.92  0.0  0.87  1.0

data_Li2GaPd
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.84
_cell_length_b   3.84
_cell_length_c   4.61
_cell_angle_alpha   114.59
_cell_angle_beta   114.59
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Li2GaPd
_chemical_formula_sum   'Li2 Ga1 Pd1'
_cell_volume   55.02
_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  0.05  0.92  0.05  1.0
  Ga  Ga2  1  0.27  0.0  0.27  1.0
  Pd  Pd3  1  0.13  0.0  0.05  1.0

Li Li Ga Pd
Li Li Ga Pd 0 1 o + + 0 3 - + o 0 2 o + o 1 3 - o - 2 3 - o o 
Li2PdGa is Indium-like structured and crystallizes in the triclinic P1 space group. The structure is zero-dimensional and consists of one Li2PdGa cluster. There are two inequivalent Li sites. In the first Li site, Li(1) is bonded in a single-bond geometry to one Pd(1) and one Ga(1) atom. The Li(1)-Pd(1) bond length is 0.43 Å. The Li(1)-Ga(1) bond length is 0.91 Å. In the second Li site, Li(2) is bonded in a distorted single-bond geometry to one Pd(1) atom. The Li(2)-Pd(1) bond length is 0.47 Å. Pd(1) is bonded in a 2-coordinate geometry to one Li(1), one Li(2), and one Ga(1) atom. The Pd(1)-Ga(1) bond length is 0.91 Å. Ga(1) is bonded in a 2-coordinate geometry to one Li(1) and one Pd(1) atom.