data_NbVNi
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.21
_cell_length_b   6.21
_cell_length_c   6.21
_cell_angle_alpha   155.11
_cell_angle_beta   155.11
_cell_angle_gamma   35.49
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NbVNi
_chemical_formula_sum   'Nb1 V1 Ni1'
_cell_volume   42.47
_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  0.77  1.0
  V  V2  1  0.0  0.0  0.06  1.0
  Ni  Ni1  1  0.0  0.0  0.85  1.0

data_NbVNi
_symmetry_space_group_name_H-M   Cm
_cell_length_a   3.79
_cell_length_b   3.79
_cell_length_c   6.21
_cell_angle_alpha   90.0
_cell_angle_beta   107.75
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   NbVNi
_chemical_formula_sum   'Nb2 V2 Ni2'
_cell_volume   84.94
_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  0.23  1.0
  V  V1  2  0.0  0.0  0.94  1.0
  Ni  Ni2  2  0.0  0.0  0.15  1.0

Nb V Ni
Nb V Ni 0 2 o o o 1 2 o o - 
NbVNi crystallizes in the monoclinic Cm space group. The structure is zero-dimensional and consists of two NbVNi clusters. Nb(1) is bonded in a single-bond geometry to one Ni(1) atom. The Nb(1)-Ni(1) bond length is 0.48 Å. V(1) is bonded in a single-bond geometry to one Ni(1) atom. The V(1)-Ni(1) bond length is 1.34 Å. Ni(1) is bonded in a distorted linear geometry to one Nb(1) and one V(1) atom.