data_NaAl2Pd
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.65
_cell_length_b   5.65
_cell_length_c   5.65
_cell_angle_alpha   149.44
_cell_angle_beta   129.36
_cell_angle_gamma   60.31
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NaAl2Pd
_chemical_formula_sum   'Na1 Al2 Pd1'
_cell_volume   70.29
_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
  Na  Na2  1  0.0  0.0  0.73  1.0
  Al  Al0  1  0.0  0.0  0.17  1.0
  Al  Al1  1  0.0  0.42  0.68  1.0
  Pd  Pd3  1  0.49  0.0  0.19  1.0

data_NaAl2Pd
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.98
_cell_length_b   4.83
_cell_length_c   5.65
_cell_angle_alpha   115.32
_cell_angle_beta   105.28
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NaAl2Pd
_chemical_formula_sum   'Na1 Al2 Pd1'
_cell_volume   70.29
_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
  Na  Na0  1  0.27  0.27  0.27  1.0
  Al  Al1  1  0.32  0.73  0.73  1.0
  Al  Al2  1  0.83  0.83  0.83  1.0
  Pd  Pd3  1  0.3  0.81  0.3  1.0

Na Al Al Pd
Na Al Al Pd 0 2 o o o 0 3 - o o 0 3 o o + 0 1 o o + 1 2 o o o 1 2 o - - 1 3 o o o 1 3 - o o 2 3 - o o 3 3 o + + 
NaPdAl2 is alpha Pu-derived structured and crystallizes in the triclinic P1 space group. Na(1) is bonded in a 4-coordinate geometry to two equivalent Pd(1), one Al(1), and one Al(2) atom. There is one shorter (2.29 Å) and one longer (2.55 Å) Na(1)-Pd(1) bond length. The Na(1)-Al(1) bond length is 2.47 Å. The Na(1)-Al(2) bond length is 2.59 Å. Pd(1) is bonded in a 2-coordinate geometry to two equivalent Na(1), one Al(1), and one Al(2) atom. The Pd(1)-Al(1) bond length is 2.69 Å. The Pd(1)-Al(2) bond length is 2.62 Å. There are two inequivalent Al sites. In the first Al site, Al(1) is bonded in a 4-coordinate geometry to one Na(1), one Pd(1), and two equivalent Al(2) atoms. There is one shorter (1.49 Å) and one longer (1.68 Å) Al(1)-Al(2) bond length. In the second Al site, Al(2) is bonded in a 4-coordinate geometry to one Na(1), one Pd(1), and two equivalent Al(1) atoms.