data_NbV2Bi
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.08
_cell_length_b   4.47
_cell_length_c   5.48
_cell_angle_alpha   90.0
_cell_angle_beta   100.21
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NbV2Bi
_chemical_formula_sum   'Nb1 V2 Bi1'
_cell_volume   74.21
_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  0.0  0.0  0.0  1.0
  V  V2  1  0.99  0.24  0.02  1.0
  V  V3  1  0.11  0.24  0.38  1.0
  Bi  Bi0  1  0.05  0.0  0.7  1.0

data_NbV2Bi
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.08
_cell_length_b   4.47
_cell_length_c   5.48
_cell_angle_alpha   90.0
_cell_angle_beta   100.21
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NbV2Bi
_chemical_formula_sum   'Nb1 V2 Bi1'
_cell_volume   74.21
_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  0.11  0.24  0.38  1.0
  V  V2  1  0.99  0.24  0.02  1.0
  Bi  Bi3  1  0.05  0.0  0.7  1.0

Nb V V Bi
NbV2Bi crystallizes in the triclinic P1 space group. The structure is zero-dimensional and consists of one NbV2Bi cluster. Nb(1) is bonded in an L-shaped geometry to one V(1) and one Bi(1) atom. The Nb(1)-V(1) bond length is 1.06 Å. The Nb(1)-Bi(1) bond length is 1.70 Å. There are two inequivalent V sites. In the first V site, V(1) is bonded in a single-bond geometry to one Nb(1) atom. In the second V site, V(2) is bonded in a 1-coordinate geometry to one Bi(1) atom. The V(2)-Bi(1) bond length is 2.09 Å. Bi(1) is bonded in a distorted bent 150 degrees geometry to one Nb(1) and one V(2) atom.