data_LiSnPd
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.24
_cell_length_b   4.24
_cell_length_c   4.24
_cell_angle_alpha   60.0
_cell_angle_beta   60.0
_cell_angle_gamma   60.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiSnPd
_chemical_formula_sum   'Li1 Sn1 Pd1'
_cell_volume   53.71
_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  Sn2  1  0.49  0.49  0.49  1.0
  Pd  Pd1  1  0.5  0.5  0.5  1.0

data_LiSnPd
_symmetry_space_group_name_H-M   R3m
_cell_length_a   4.24
_cell_length_b   4.24
_cell_length_c   10.37
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   160
_chemical_formula_structural   LiSnPd
_chemical_formula_sum   'Li3 Sn3 Pd3'
_cell_volume   161.14
_cell_formula_units_Z   3
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '-y, x-y, z'
  3  '-x+y, -x, z'
  4  '-y, -x, z'
  5  '-x+y, y, z'
  6  'x, x-y, z'
  7  'x+1/3, y+2/3, z+2/3'
  8  '-y+1/3, x-y+2/3, z+2/3'
  9  '-x+y+1/3, -x+2/3, z+2/3'
  10  '-y+1/3, -x+2/3, z+2/3'
  11  '-x+y+1/3, y+2/3, z+2/3'
  12  'x+1/3, x-y+2/3, z+2/3'
  13  'x+2/3, y+1/3, z+1/3'
  14  '-y+2/3, x-y+1/3, z+1/3'
  15  '-x+y+2/3, -x+1/3, z+1/3'
  16  '-y+2/3, -x+1/3, z+1/3'
  17  '-x+y+2/3, y+1/3, z+1/3'
  18  'x+2/3, x-y+1/3, z+1/3'
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  3  0.0  0.0  0.0  1.0
  Sn  Sn1  3  0.0  0.0  0.51  1.0
  Pd  Pd2  3  0.0  0.0  0.5  1.0

Li Sn Pd
Li Sn Pd 0 2 - - o 0 2 - o - 0 2 - o o 0 2 o - - 0 2 o - o 0 2 o o - 0 1 - - o 0 1 - o - 0 1 - o o 0 1 o - - 0 1 o - o 0 1 o o - 1 2 o o o 
LiPdSn crystallizes in the trigonal R3m space group. Li(1) is bonded to three equivalent Pd(1) and three equivalent Sn(1) atoms to form edge-sharing LiSn3Pd3 octahedra. All Li(1)-Pd(1) bond lengths are 3.01 Å. All Li(1)-Sn(1) bond lengths are 2.95 Å. Pd(1) is bonded in a single-bond geometry to three equivalent Li(1) and one Sn(1) atom. The Pd(1)-Sn(1) bond length is 0.05 Å. Sn(1) is bonded in a single-bond geometry to three equivalent Li(1) and one Pd(1) atom.