data_Al2NiPd
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.14
_cell_length_b   8.14
_cell_length_c   8.14
_cell_angle_alpha   20.07
_cell_angle_beta   20.07
_cell_angle_gamma   20.07
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Al2NiPd
_chemical_formula_sum   'Al2 Ni1 Pd1'
_cell_volume   55.58
_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  0.08  1.0
  Al  Al1  1  0.0  0.0  0.85  1.0
  Ni  Ni2  1  0.0  0.0  0.0  1.0
  Pd  Pd3  1  0.0  0.0  0.96  1.0

data_Al2NiPd
_symmetry_space_group_name_H-M   Cm
_cell_length_a   4.91
_cell_length_b   2.84
_cell_length_c   8.14
_cell_angle_alpha   90.0
_cell_angle_beta   101.61
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   Al2NiPd
_chemical_formula_sum   'Al4 Ni2 Pd2'
_cell_volume   111.16
_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  0.92  1.0
  Al  Al1  2  -0.0  0.0  0.15  1.0
  Ni  Ni2  2  0.0  0.0  0.0  1.0
  Pd  Pd3  2  -0.0  0.0  0.04  1.0

Al Al Ni Pd
Al Al Ni Pd 0 2 o o o 1 3 o o o 2 3 o o - 
PdNiAl2 is Cyanogen Chloride-like structured and crystallizes in the monoclinic Cm space group. The structure is zero-dimensional and consists of two PdNiAl2 clusters. Pd(1) is bonded in a linear geometry to one Ni(1) and one Al(2) atom. The Pd(1)-Ni(1) bond length is 0.30 Å. The Pd(1)-Al(2) bond length is 0.93 Å. Ni(1) is bonded in a linear geometry to one Pd(1) and one Al(1) atom. The Ni(1)-Al(1) bond length is 0.62 Å. There are two inequivalent Al sites. In the first Al site, Al(1) is bonded in a single-bond geometry to one Ni(1) atom. In the second Al site, Al(2) is bonded in a single-bond geometry to one Pd(1) atom.