data_Al2SiPd
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.61
_cell_length_b   3.04
_cell_length_c   5.46
_cell_angle_alpha   90.0
_cell_angle_beta   94.25
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Al2SiPd
_chemical_formula_sum   'Al2 Si1 Pd1'
_cell_volume   59.92
_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
  Al  Al0  1  0.71  0.52  0.34  1.0
  Al  Al1  1  0.5  0.52  0.11  1.0
  Si  Si3  1  0.0  0.0  0.0  1.0
  Pd  Pd2  1  0.8  0.0  0.72  1.0

data_Al2SiPd
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.04
_cell_length_b   3.61
_cell_length_c   5.46
_cell_angle_alpha   94.25
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Al2SiPd
_chemical_formula_sum   'Al2 Si1 Pd1'
_cell_volume   59.92
_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
  Al  Al0  1  0.48  0.29  0.66  1.0
  Al  Al1  1  0.48  0.5  0.89  1.0
  Si  Si2  1  0.0  0.0  0.0  1.0
  Pd  Pd3  1  0.0  0.2  0.28  1.0

Al Al Si Pd
Al Al Si Pd 0 1 o o o 2 3 - o - 
PdAl2Si crystallizes in the triclinic P1 space group. Pd(1) is bonded in a 1-coordinate geometry to two equivalent Al(1), two equivalent Al(2), and one Si(1) atom. There is one shorter (2.55 Å) and one longer (2.63 Å) Pd(1)-Al(1) bond length. There is one shorter (2.84 Å) and one longer (2.90 Å) Pd(1)-Al(2) bond length. The Pd(1)-Si(1) bond length is 1.63 Å. There are two inequivalent Al sites. In the first Al site, Al(1) is bonded in a 3-coordinate geometry to two equivalent Pd(1) and one Al(2) atom. The Al(1)-Al(2) bond length is 1.44 Å. In the second Al site, Al(2) is bonded in a 7-coordinate geometry to two equivalent Pd(1), one Al(1), and four equivalent Si(1) atoms. There are a spread of Al(2)-Si(1) bond distances ranging from 2.36-2.52 Å. Si(1) is bonded in a 1-coordinate geometry to one Pd(1) and four equivalent Al(2) atoms.