data_LiSnPd2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.47
_cell_length_b   4.47
_cell_length_c   3.23
_cell_angle_alpha   91.25
_cell_angle_beta   91.25
_cell_angle_gamma   93.78
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiSnPd2
_chemical_formula_sum   'Li1 Sn1 Pd2'
_cell_volume   64.48
_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
  Sn  Sn3  1  0.06  0.0  0.0  1.0
  Pd  Pd1  1  0.48  0.37  0.62  1.0
  Pd  Pd2  1  0.48  0.63  0.62  1.0

data_LiSnPd2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.23
_cell_length_b   4.47
_cell_length_c   4.47
_cell_angle_alpha   93.78
_cell_angle_beta   91.25
_cell_angle_gamma   91.25
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiSnPd2
_chemical_formula_sum   'Li1 Sn1 Pd2'
_cell_volume   64.48
_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
  Sn  Sn1  1  0.0  0.06  0.0  1.0
  Pd  Pd2  1  0.62  0.48  0.37  1.0
  Pd  Pd3  1  0.62  0.48  0.63  1.0

Li Sn Pd Pd
LiPd2Sn crystallizes in the triclinic P1 space group. Li(1) is bonded in a single-bond geometry to one Pd(1), one Pd(2), and one Sn(1) atom. The Li(1)-Pd(1) bond length is 3.19 Å. The Li(1)-Pd(2) bond length is 3.00 Å. The Li(1)-Sn(1) bond length is 0.25 Å. There are two inequivalent Pd sites. In the first Pd site, Pd(1) is bonded in a 4-coordinate geometry to one Li(1), one Pd(2), and two equivalent Sn(1) atoms. The Pd(1)-Pd(2) bond length is 1.18 Å. There is one shorter (2.75 Å) and one longer (3.08 Å) Pd(1)-Sn(1) bond length. In the second Pd site, Pd(2) is bonded in a 3-coordinate geometry to one Li(1), one Pd(1), and one Sn(1) atom. The Pd(2)-Sn(1) bond length is 2.86 Å. Sn(1) is bonded in a single-bond geometry to one Li(1), one Pd(2), and two equivalent Pd(1) atoms.