data_SbPd3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.52
_cell_length_b   4.52
_cell_length_c   3.44
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   103.05
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SbPd3
_chemical_formula_sum   'Sb1 Pd3'
_cell_volume   68.38
_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
  Sb  Sb3  1  0.81  0.0  0.0  1.0
  Pd  Pd0  1  0.41  0.23  0.72  1.0
  Pd  Pd1  1  0.41  0.77  0.72  1.0
  Pd  Pd2  1  0.0  0.0  0.0  1.0

data_SbPd3
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.44
_cell_length_b   4.52
_cell_length_c   4.52
_cell_angle_alpha   103.05
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SbPd3
_chemical_formula_sum   'Sb1 Pd3'
_cell_volume   68.38
_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
  Sb  Sb0  1  0.0  0.81  0.0  1.0
  Pd  Pd1  1  0.0  0.0  0.0  1.0
  Pd  Pd2  1  0.72  0.41  0.23  1.0
  Pd  Pd3  1  0.72  0.41  0.77  1.0

Sb Pd Pd Pd
Sb Pd Pd Pd 0 3 + o o 0 1 o o - 0 2 o - - 1 3 o o + 1 2 o o o 1 2 o - o 2 3 o + + 
Pd3Sb crystallizes in the triclinic P1 space group. There are three inequivalent Pd sites. In the first Pd site, Pd(1) is bonded in a 4-coordinate geometry to one Pd(3), two equivalent Pd(2), and one Sb(1) atom. The Pd(1)-Pd(3) bond length is 2.12 Å. There is one shorter (2.10 Å) and one longer (2.42 Å) Pd(1)-Pd(2) bond length. The Pd(1)-Sb(1) bond length is 2.50 Å. In the second Pd site, Pd(2) is bonded in a 5-coordinate geometry to one Pd(3), two equivalent Pd(1), and two equivalent Sb(1) atoms. The Pd(2)-Pd(3) bond length is 2.50 Å. There is one shorter (2.12 Å) and one longer (3.12 Å) Pd(2)-Sb(1) bond length. In the third Pd site, Pd(3) is bonded in a single-bond geometry to one Pd(1), one Pd(2), and one Sb(1) atom. The Pd(3)-Sb(1) bond length is 0.86 Å. Sb(1) is bonded in a distorted single-bond geometry to one Pd(1), one Pd(3), and two equivalent Pd(2) atoms.