data_SnPd
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.36
_cell_length_b   5.36
_cell_length_c   5.36
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SnPd
_chemical_formula_sum   'Sn4 Pd4'
_cell_volume   153.7
_cell_formula_units_Z   4
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
  Sn  Sn4  1  0.19  0.87  0.16  1.0
  Sn  Sn5  1  0.49  0.49  0.49  1.0
  Sn  Sn6  1  0.16  0.19  0.87  1.0
  Sn  Sn7  1  0.87  0.16  0.19  1.0
  Pd  Pd0  1  0.52  0.2  0.84  1.0
  Pd  Pd1  1  0.16  0.16  0.16  1.0
  Pd  Pd2  1  0.84  0.52  0.2  1.0
  Pd  Pd3  1  0.2  0.84  0.52  1.0

data_SnPd
_symmetry_space_group_name_H-M   R3
_cell_length_a   7.58
_cell_length_b   7.58
_cell_length_c   9.28
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   146
_chemical_formula_structural   SnPd
_chemical_formula_sum   'Sn12 Pd12'
_cell_volume   461.1
_cell_formula_units_Z   12
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  'x+1/3, y+2/3, z+2/3'
  5  '-y+1/3, x-y+2/3, z+2/3'
  6  '-x+y+1/3, -x+2/3, z+2/3'
  7  'x+2/3, y+1/3, z+1/3'
  8  '-y+2/3, x-y+1/3, z+1/3'
  9  '-x+y+2/3, -x+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
  Sn  Sn0  9  0.09  0.21  0.08  1.0
  Sn  Sn1  3  0.0  0.0  0.49  1.0
  Pd  Pd2  9  0.01  0.67  0.18  1.0
  Pd  Pd3  3  0.0  0.0  0.16  1.0

Sn Sn Sn Sn Pd Pd Pd Pd
Sn Sn Sn Sn Pd Pd Pd Pd 0 5 o + o 0 7 o o o 1 7 o o o 1 4 o o o 1 6 o o o 2 5 o o + 2 4 o o o 3 5 + o o 3 6 o o o 
PdSn crystallizes in the trigonal R3 space group. There are two inequivalent Pd sites. In the first Pd site, Pd(1) is bonded in a 3-coordinate geometry to one Sn(2) and two equivalent Sn(1) atoms. The Pd(1)-Sn(2) bond length is 2.45 Å. There is one shorter (1.90 Å) and one longer (2.68 Å) Pd(1)-Sn(1) bond length. In the second Pd site, Pd(2) is bonded in a 3-coordinate geometry to one Sn(2) and three equivalent Sn(1) atoms. The Pd(2)-Sn(2) bond length is 3.02 Å. All Pd(2)-Sn(1) bond lengths are 1.57 Å. There are two inequivalent Sn sites. In the first Sn site, Sn(1) is bonded in a 2-coordinate geometry to one Pd(2) and two equivalent Pd(1) atoms. In the second Sn site, Sn(2) is bonded in a distorted trigonal pyramidal geometry to one Pd(2) and three equivalent Pd(1) atoms.