data_NbVSn2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.06
_cell_length_b   3.06
_cell_length_c   8.6
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   107.53
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NbVSn2
_chemical_formula_sum   'Nb1 V1 Sn2'
_cell_volume   76.83
_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  0.3  1.0
  V  V3  1  0.0  0.0  0.0  1.0
  Sn  Sn1  1  0.81  0.0  0.55  1.0
  Sn  Sn2  1  0.81  0.0  0.06  1.0

data_NbVSn2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.06
_cell_length_b   3.06
_cell_length_c   8.6
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   107.53
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NbVSn2
_chemical_formula_sum   'Nb1 V1 Sn2'
_cell_volume   76.83
_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  0.3  1.0
  V  V1  1  0.0  0.0  0.0  1.0
  Sn  Sn2  1  0.81  0.0  0.06  1.0
  Sn  Sn3  1  0.81  0.0  0.55  1.0

Nb V Sn Sn
NbVSn2 crystallizes in the triclinic P1 space group. The structure is zero-dimensional and consists of one NbVSn2 cluster. Nb(1) is bonded in a bent 150 degrees geometry to one Sn(1) and one Sn(2) atom. The Nb(1)-Sn(1) bond length is 2.18 Å. The Nb(1)-Sn(2) bond length is 2.18 Å. V(1) is bonded in a single-bond geometry to one Sn(2) atom. The V(1)-Sn(2) bond length is 0.76 Å. There are two inequivalent Sn sites. In the first Sn site, Sn(1) is bonded in a single-bond geometry to one Nb(1) atom. In the second Sn site, Sn(2) is bonded in a distorted single-bond geometry to one Nb(1) and one V(1) atom.