data_YNbV2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.97
_cell_length_b   4.31
_cell_length_c   6.18
_cell_angle_alpha   90.0
_cell_angle_beta   101.79
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   YNbV2
_chemical_formula_sum   'Y1 Nb1 V2'
_cell_volume   77.23
_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
  Y  Y3  1  0.0  0.0  0.0  1.0
  Nb  Nb0  1  0.85  0.0  0.02  1.0
  V  V1  1  0.95  0.15  0.12  1.0
  V  V2  1  0.76  0.15  0.93  1.0

data_YNbV2
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.97
_cell_length_b   4.31
_cell_length_c   6.18
_cell_angle_alpha   90.0
_cell_angle_beta   101.79
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   YNbV2
_chemical_formula_sum   'Y1 Nb1 V2'
_cell_volume   77.23
_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
  Y  Y0  1  0.0  0.0  0.0  1.0
  Nb  Nb1  1  0.85  0.0  0.02  1.0
  V  V2  1  0.76  0.15  0.93  1.0
  V  V3  1  0.95  0.15  0.12  1.0

Y Nb V V
YNbV2 crystallizes in the triclinic P1 space group. The structure is zero-dimensional and consists of one YNbV2 cluster. Y(1) is bonded in a single-bond geometry to one Nb(1) and one V(1) atom. The Y(1)-Nb(1) bond length is 0.49 Å. The Y(1)-V(1) bond length is 1.03 Å. Nb(1) is bonded in a distorted single-bond geometry to one Y(1), one V(1), and one V(2) atom. The Nb(1)-V(1) bond length is 0.90 Å. The Nb(1)-V(2) bond length is 0.90 Å. There are two inequivalent V sites. In the first V site, V(1) is bonded in a 3-coordinate geometry to one Y(1), one Nb(1), and one V(2) atom. The V(1)-V(2) bond length is 1.22 Å. In the second V site, V(2) is bonded in a 1-coordinate geometry to one Nb(1) and one V(1) atom.