data_Al2NiPd
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.24
_cell_length_b   3.24
_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   Al2NiPd
_chemical_formula_sum   'Al2 Ni1 Pd1'
_cell_volume   56.21
_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  0.0  0.0  0.25  1.0
  Al  Al1  1  0.62  0.62  0.54  1.0
  Ni  Ni2  1  0.0  0.0  0.46  1.0
  Pd  Pd3  1  0.62  0.62  0.15  1.0

data_Al2NiPd
_symmetry_space_group_name_H-M   Cm
_cell_length_a   4.58
_cell_length_b   4.58
_cell_length_c   5.36
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   Al2NiPd
_chemical_formula_sum   'Al4 Ni2 Pd2'
_cell_volume   112.43
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  'x, -y, z'
  3  'x+1/2, y+1/2, z'
  4  'x+1/2, -y+1/2, 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  2  0.0  0.0  0.25  1.0
  Al  Al1  2  0.12  0.5  0.54  1.0
  Ni  Ni2  2  0.0  0.0  0.46  1.0
  Pd  Pd3  2  0.12  0.5  0.15  1.0

Al Al Ni Pd
PdNiAl2 crystallizes in the monoclinic Cm space group. Pd(1) is bonded in a 6-coordinate geometry to two equivalent Al(2) and four equivalent Al(1) atoms. There is one shorter (2.10 Å) and one longer (3.26 Å) Pd(1)-Al(2) bond length. There are a spread of Pd(1)-Al(1) bond distances ranging from 1.83-2.89 Å. Ni(1) is bonded in a distorted single-bond geometry to one Al(1) and four equivalent Al(2) atoms. The Ni(1)-Al(1) bond length is 1.09 Å. There are a spread of Ni(1)-Al(2) bond distances ranging from 1.80-2.87 Å. There are two inequivalent Al sites. In the first Al site, Al(1) is bonded in a 1-coordinate geometry to four equivalent Pd(1) and one Ni(1) atom. In the second Al site, Al(2) is bonded in a 6-coordinate geometry to two equivalent Pd(1) and four equivalent Ni(1) atoms.