data_Si2SbPd
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.04
_cell_length_b   3.31
_cell_length_c   7.25
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Si2SbPd
_chemical_formula_sum   'Si2 Sb1 Pd1'
_cell_volume   72.93
_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
  Si  Si2  1  0.0  0.0  0.57  1.0
  Si  Si3  1  0.52  0.66  0.82  1.0
  Sb  Sb1  1  0.52  0.66  0.2  1.0
  Pd  Pd0  1  0.0  0.0  0.28  1.0

data_Si2SbPd
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.04
_cell_length_b   3.31
_cell_length_c   7.25
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Si2SbPd
_chemical_formula_sum   'Si2 Sb1 Pd1'
_cell_volume   72.93
_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
  Si  Si0  1  0.0  0.0  0.57  1.0
  Si  Si1  1  0.52  0.66  0.82  1.0
  Sb  Sb2  1  0.52  0.66  0.2  1.0
  Pd  Pd3  1  0.0  0.0  0.28  1.0

Si Si Sb Pd
Si Si Sb Pd 0 1 - - o 0 1 o o o 0 1 o - o 0 1 - o o 0 3 o o o 1 1 + o o 1 2 o o + 2 3 o + o 2 3 + + o 
PdSi2Sb crystallizes in the triclinic P1 space group. Pd(1) is bonded in a 5-coordinate geometry to one Si(1) and four equivalent Sb(1) atoms. The Pd(1)-Si(1) bond length is 2.12 Å. There are a spread of Pd(1)-Sb(1) bond distances ranging from 1.95-2.76 Å. There are two inequivalent Si sites. In the first Si site, Si(1) is bonded in a distorted single-bond geometry to one Pd(1) and two equivalent Si(2) atoms. There is one shorter (2.59 Å) and one longer (2.65 Å) Si(1)-Si(2) bond length. In the second Si site, Si(2) is bonded in a 3-coordinate geometry to two equivalent Si(1) and one Sb(1) atom. The Si(2)-Sb(1) bond length is 2.71 Å. Sb(1) is bonded in a 5-coordinate geometry to four equivalent Pd(1) and one Si(2) atom.