data_AlNiPd2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.38
_cell_length_b   4.38
_cell_length_c   2.93
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   99.92
_symmetry_Int_Tables_number   1
_chemical_formula_structural   AlNiPd2
_chemical_formula_sum   'Al1 Ni1 Pd2'
_cell_volume   55.36
_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  0.0  1.0
  Ni  Ni1  1  0.82  0.0  0.0  1.0
  Pd  Pd2  1  0.41  0.32  0.46  1.0
  Pd  Pd3  1  0.41  0.68  0.46  1.0

data_AlNiPd2
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.93
_cell_length_b   4.38
_cell_length_c   4.38
_cell_angle_alpha   99.92
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   AlNiPd2
_chemical_formula_sum   'Al1 Ni1 Pd2'
_cell_volume   55.36
_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  0.0  1.0
  Ni  Ni1  1  -0.0  0.82  0.0  1.0
  Pd  Pd2  1  0.46  0.41  0.32  1.0
  Pd  Pd3  1  0.46  0.41  0.68  1.0

Al Ni Pd Pd
Pd2NiAl crystallizes in the triclinic P1 space group. There are two inequivalent Pd sites. In the first Pd site, Pd(1) is bonded in a 3-coordinate geometry to one Pd(2) and two equivalent Al(1) atoms. The Pd(1)-Pd(2) bond length is 1.55 Å. There is one shorter (2.49 Å) and one longer (2.61 Å) Pd(1)-Al(1) bond length. In the second Pd site, Pd(2) is bonded in a 5-coordinate geometry to one Pd(1), two equivalent Ni(1), and two equivalent Al(1) atoms. There is one shorter (2.49 Å) and one longer (2.61 Å) Pd(2)-Ni(1) bond length. There is one shorter (2.82 Å) and one longer (2.92 Å) Pd(2)-Al(1) bond length. Ni(1) is bonded in a single-bond geometry to two equivalent Pd(2) and one Al(1) atom. The Ni(1)-Al(1) bond length is 0.80 Å. Al(1) is bonded in a distorted single-bond geometry to two equivalent Pd(1), two equivalent Pd(2), and one Ni(1) atom.