data_NbPd2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.51
_cell_length_b   7.51
_cell_length_c   4.59
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   158.36
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NbPd2
_chemical_formula_sum   'Nb2 Pd4'
_cell_volume   95.25
_cell_formula_units_Z   2
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
  Nb  Nb0  1  0.41  0.7  0.15  1.0
  Nb  Nb1  1  0.41  0.3  0.44  1.0
  Pd  Pd2  1  0.41  0.77  0.15  1.0
  Pd  Pd3  1  0.41  0.12  0.44  1.0
  Pd  Pd4  1  0.41  0.88  0.15  1.0
  Pd  Pd5  1  0.41  0.23  0.44  1.0

data_NbPd2
_symmetry_space_group_name_H-M   P-1
_cell_length_a   2.82
_cell_length_b   4.59
_cell_length_c   7.51
_cell_angle_alpha   90.0
_cell_angle_beta   100.82
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   2
_chemical_formula_structural   NbPd2
_chemical_formula_sum   'Nb2 Pd4'
_cell_volume   95.25
_cell_formula_units_Z   2
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
  Nb  Nb0  2  0.3  0.35  0.8  1.0
  Pd  Pd1  2  0.12  0.35  0.62  1.0
  Pd  Pd2  2  0.23  0.35  0.73  1.0

Nb Nb Pd Pd Pd Pd
NbPd2 crystallizes in the triclinic P-1 space group. The structure is zero-dimensional and consists of two NbPd2 clusters. Nb(1) is bonded in a single-bond geometry to one Pd(1) atom. The Nb(1)-Pd(1) bond length is 0.58 Å. There are two inequivalent Pd sites. In the first Pd site, Pd(1) is bonded in a distorted single-bond geometry to one Nb(1) and one Pd(2) atom. The Pd(1)-Pd(2) bond length is 0.76 Å. In the second Pd site, Pd(2) is bonded in a distorted single-bond geometry to one Pd(1) atom.