data_Li2CdPd
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.54
_cell_length_b   4.54
_cell_length_c   4.54
_cell_angle_alpha   60.0
_cell_angle_beta   60.0
_cell_angle_gamma   60.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Li2CdPd
_chemical_formula_sum   'Li2 Cd1 Pd1'
_cell_volume   66.09
_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  0.6  0.6  0.6  1.0
  Li  Li2  1  0.0  0.0  0.0  1.0
  Cd  Cd0  1  0.81  0.81  0.81  1.0
  Pd  Pd3  1  0.21  0.21  0.21  1.0

data_Li2CdPd
_symmetry_space_group_name_H-M   R3m
_cell_length_a   4.54
_cell_length_b   4.54
_cell_length_c   11.12
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   160
_chemical_formula_structural   Li2CdPd
_chemical_formula_sum   'Li6 Cd3 Pd3'
_cell_volume   198.27
_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
  Li  Li1  3  0.0  0.0  0.4  1.0
  Cd  Cd2  3  0.0  0.0  0.19  1.0
  Pd  Pd3  3  0.0  0.0  0.79  1.0

Li Li Cd Pd
Li Li Cd Pd 0 2 o - o 0 2 - o o 0 2 o o - 0 2 o o o 0 3 o o + 0 3 o + o 0 3 + o o 0 1 o + + 0 1 + o + 0 1 + + o 1 2 - - - 1 3 o o o 1 3 o o - 1 3 - o o 1 3 o - o 2 3 + + o 2 3 + o + 2 3 o + + 
Li2PdCd crystallizes in the trigonal R3m space group. There are two inequivalent Li sites. In the first Li site, Li(1) is bonded in a 4-coordinate geometry to three equivalent Pd(1) and one Cd(1) atom. All Li(1)-Pd(1) bond lengths are 2.71 Å. The Li(1)-Cd(1) bond length is 2.32 Å. In the second Li site, Li(2) is bonded in a linear geometry to four equivalent Pd(1) and one Cd(1) atom. There is one shorter (2.32 Å) and three longer (2.96 Å) Li(2)-Pd(1) bond lengths. The Li(2)-Cd(1) bond length is 2.07 Å. Pd(1) is bonded in a 10-coordinate geometry to three equivalent Li(1), four equivalent Li(2), and three equivalent Cd(1) atoms. All Pd(1)-Cd(1) bond lengths are 2.71 Å. Cd(1) is bonded in a 2-coordinate geometry to one Li(1), one Li(2), and three equivalent Pd(1) atoms.