data_NdAlPd2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.48
_cell_length_b   7.08
_cell_length_c   5.86
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NdAlPd2
_chemical_formula_sum   'Nd4 Al4 Pd8'
_cell_volume   310.49
_cell_formula_units_Z   4
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
  Nd  Nd4  1  0.51  0.31  0.89  1.0
  Nd  Nd5  1  0.25  0.31  0.04  1.0
  Nd  Nd6  1  0.23  0.77  0.82  1.0
  Nd  Nd7  1  0.97  0.77  0.98  1.0
  Al  Al0  1  0.6  0.77  0.89  1.0
  Al  Al1  1  0.86  0.77  0.04  1.0
  Al  Al2  1  0.62  0.31  0.83  1.0
  Al  Al3  1  0.88  0.31  0.97  1.0
  Pd  Pd8  1  0.33  0.37  0.52  1.0
  Pd  Pd9  1  0.33  0.16  0.52  1.0
  Pd  Pd10  1  0.07  0.37  0.42  1.0
  Pd  Pd11  1  0.07  0.16  0.42  1.0
  Pd  Pd12  1  0.41  0.91  0.45  1.0
  Pd  Pd13  1  0.41  0.7  0.45  1.0
  Pd  Pd14  1  0.15  0.91  0.35  1.0
  Pd  Pd15  1  0.15  0.7  0.35  1.0

data_NdAlPd2
_symmetry_space_group_name_H-M   P-1
_cell_length_a   5.86
_cell_length_b   7.08
_cell_length_c   7.48
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   2
_chemical_formula_structural   NdAlPd2
_chemical_formula_sum   'Nd4 Al4 Pd8'
_cell_volume   310.49
_cell_formula_units_Z   4
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '-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
  Nd  Nd0  2  0.04  0.23  0.23  1.0
  Nd  Nd1  2  0.11  0.77  0.51  1.0
  Al  Al2  2  0.04  0.77  0.14  1.0
  Al  Al3  2  0.11  0.23  0.12  1.0
  Pd  Pd4  2  0.42  0.16  0.41  1.0
  Pd  Pd5  2  0.42  0.37  0.41  1.0
  Pd  Pd6  2  0.48  0.63  0.33  1.0
  Pd  Pd7  2  0.48  0.84  0.33  1.0

Nd Nd Nd Nd Al Al Al Al Pd Pd Pd Pd Pd Pd Pd Pd
NdPd2Al crystallizes in the triclinic P-1 space group. There are two inequivalent Nd sites. In the first Nd site, Nd(1) is bonded in a single-bond geometry to one Nd(2), one Pd(1), one Al(1), and one Al(2) atom. The Nd(1)-Nd(2) bond length is 2.14 Å. The Nd(1)-Pd(1) bond length is 2.60 Å. The Nd(1)-Al(1) bond length is 3.35 Å. The Nd(1)-Al(2) bond length is 0.91 Å. In the second Nd site, Nd(2) is bonded in a 5-coordinate geometry to one Nd(1), one Pd(3), one Pd(4), three equivalent Pd(1), and one Al(1) atom. The Nd(2)-Pd(3) bond length is 2.60 Å. The Nd(2)-Pd(4) bond length is 2.74 Å. There are a spread of Nd(2)-Pd(1) bond distances ranging from 2.88-3.40 Å. The Nd(2)-Al(1) bond length is 2.81 Å. There are four inequivalent Pd sites. In the first Pd site, Pd(1) is bonded in a 8-coordinate geometry to one Nd(1), three equivalent Nd(2), one Pd(2), two equivalent Pd(3), and one Al(2) atom. The Pd(1)-Pd(2) bond length is 1.49 Å. There is one shorter (2.02 Å) and one longer (2.42 Å) Pd(1)-Pd(3) bond length. The Pd(1)-Al(2) bond length is 2.86 Å. In the second Pd site, Pd(2) is bonded in a 1-coordinate geometry to one Pd(1) and two equivalent Pd(4) atoms. There is one shorter (1.92 Å) and one longer (2.02 Å) Pd(2)-Pd(4) bond length. In the third Pd site, Pd(3) is bonded in a 5-coordinate geometry to one Nd(2), one Pd(4), two equivalent Pd(1), and one Al(1) atom. The Pd(3)-Pd(4) bond length is 1.49 Å. The Pd(3)-Al(1) bond length is 3.03 Å. In the fourth Pd site, Pd(4) is bonded in a 5-coordinate geometry to one Nd(2), one Pd(3), two equivalent Pd(2), and one Al(1) atom. The Pd(4)-Al(1) bond length is 3.16 Å. There are two inequivalent Al sites. In the first Al site, Al(1) is bonded in a 5-coordinate geometry to one Nd(1), one Nd(2), one Pd(3), one Pd(4), and one Al(2) atom. The Al(1)-Al(2) bond length is 2.11 Å. In the second Al site, Al(2) is bonded in a single-bond geometry to one Nd(1), one Pd(1), and one Al(1) atom.