data_NbV2Pd
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.09
_cell_length_b   5.09
_cell_length_c   5.09
_cell_angle_alpha   143.69
_cell_angle_beta   128.0
_cell_angle_gamma   65.07
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NbV2Pd
_chemical_formula_sum   'Nb1 V2 Pd1'
_cell_volume   60.62
_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  Nb0  1  0.0  0.0  0.0  1.0
  V  V2  1  0.0  0.23  0.21  1.0
  V  V3  1  0.58  0.0  0.08  1.0
  Pd  Pd1  1  0.0  0.0  0.29  1.0

data_NbV2Pd
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.17
_cell_length_b   4.46
_cell_length_c   5.09
_cell_angle_alpha   116.0
_cell_angle_beta   108.15
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NbV2Pd
_chemical_formula_sum   'Nb1 V2 Pd1'
_cell_volume   60.62
_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  Nb0  1  0.0  0.0  0.0  1.0
  V  V1  1  0.0  0.08  0.5  1.0
  V  V2  1  0.77  0.98  0.98  1.0
  Pd  Pd3  1  0.0  0.29  0.29  1.0

Nb V V Pd
NbV2Pd crystallizes in the triclinic P1 space group. The structure is zero-dimensional and consists of one NbV2Pd cluster. Nb(1) is bonded in a 2-coordinate geometry to one V(1) and one Pd(1) atom. The Nb(1)-V(1) bond length is 0.70 Å. The Nb(1)-Pd(1) bond length is 1.47 Å. There are two inequivalent V sites. In the first V site, V(1) is bonded in a 2-coordinate geometry to one Nb(1) and one Pd(1) atom. The V(1)-Pd(1) bond length is 1.53 Å. In the second V site, V(2) is bonded in a single-bond geometry to one Pd(1) atom. The V(2)-Pd(1) bond length is 1.68 Å. Pd(1) is bonded in a 3-coordinate geometry to one Nb(1), one V(1), and one V(2) atom.