data_Nb2AsPd
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.86
_cell_length_b   2.86
_cell_length_c   8.44
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Nb2AsPd
_chemical_formula_sum   'Nb2 As1 Pd1'
_cell_volume   68.84
_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
  Nb  Nb1  1  0.43  0.43  0.37  1.0
  Nb  Nb2  1  0.0  0.0  0.21  1.0
  As  As0  1  0.0  0.0  0.31  1.0
  Pd  Pd3  1  0.43  0.43  0.2  1.0

data_Nb2AsPd
_symmetry_space_group_name_H-M   Cm
_cell_length_a   4.04
_cell_length_b   4.04
_cell_length_c   8.44
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   Nb2AsPd
_chemical_formula_sum   'Nb4 As2 Pd2'
_cell_volume   137.67
_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
  Nb  Nb0  2  0.0  0.0  0.21  1.0
  Nb  Nb1  2  0.43  0.0  0.37  1.0
  As  As2  2  0.0  0.0  0.31  1.0
  Pd  Pd3  2  0.43  0.0  0.2  1.0

Nb Nb As Pd
Pd1Nb1NbAs crystallizes in the monoclinic Cm space group. The structure is zero-dimensional and consists of two niobium arsenide molecules and two Pd1Nb1 clusters. In each Pd1Nb1 cluster, Nb(1) is bonded in a distorted single-bond geometry to one Pd(1) atom. The Nb(1)-Pd(1) bond length is 1.48 Å. Pd(1) is bonded in a distorted single-bond geometry to one Nb(1) atom.