data_Li2FePd
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.66
_cell_length_b   4.47
_cell_length_c   4.69
_cell_angle_alpha   90.0
_cell_angle_beta   94.78
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Li2FePd
_chemical_formula_sum   'Li2 Fe1 Pd1'
_cell_volume   55.56
_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  0.88  0.23  0.18  1.0
  Li  Li2  1  0.39  0.23  0.49  1.0
  Fe  Fe0  1  0.0  0.0  0.0  1.0
  Pd  Pd3  1  0.13  0.0  0.34  1.0

data_Li2FePd
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.66
_cell_length_b   4.47
_cell_length_c   4.69
_cell_angle_alpha   90.0
_cell_angle_beta   94.78
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Li2FePd
_chemical_formula_sum   'Li2 Fe1 Pd1'
_cell_volume   55.56
_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  0.39  0.23  0.49  1.0
  Li  Li1  1  0.88  0.23  0.18  1.0
  Fe  Fe2  1  0.0  0.0  0.0  1.0
  Pd  Pd3  1  0.13  0.0  0.34  1.0

Li Li Fe Pd
Li2FePd crystallizes in the triclinic P1 space group. The structure is zero-dimensional and consists of one Li2FePd cluster. There are two inequivalent Li sites. In the first Li site, Li(1) is bonded in a 2-coordinate geometry to one Fe(1) and one Pd(1) atom. The Li(1)-Fe(1) bond length is 1.41 Å. The Li(1)-Pd(1) bond length is 1.41 Å. In the second Li site, Li(2) is bonded in a single-bond geometry to one Pd(1) atom. The Li(2)-Pd(1) bond length is 1.41 Å. Fe(1) is bonded in a 2-coordinate geometry to one Li(1) and one Pd(1) atom. The Fe(1)-Pd(1) bond length is 1.59 Å. Pd(1) is bonded in a distorted L-shaped geometry to one Li(1), one Li(2), and one Fe(1) atom.