data_NbAlV
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.81
_cell_length_b   2.81
_cell_length_c   7.03
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NbAlV
_chemical_formula_sum   'Nb1 Al1 V1'
_cell_volume   48.15
_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  0.41  0.81  0.33  1.0
  Al  Al0  1  0.0  0.0  0.96  1.0
  V  V2  1  0.0  0.62  0.76  1.0

data_NbAlV
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.81
_cell_length_b   2.81
_cell_length_c   7.03
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NbAlV
_chemical_formula_sum   'Nb1 Al1 V1'
_cell_volume   48.15
_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  0.41  0.81  0.33  1.0
  Al  Al1  1  0.0  0.0  0.96  1.0
  V  V2  1  0.0  0.62  0.76  1.0

Nb Al V
NbAlV crystallizes in the triclinic P1 space group. Nb(1) is bonded to six equivalent Nb(1), three equivalent V(1), and three equivalent Al(1) atoms to form a mixture of distorted face, corner, and edge-sharing NbNb6Al3V3 cuboctahedra. All Nb(1)-Nb(1) bond lengths are 2.81 Å. There are a spread of Nb(1)-V(1) bond distances ranging from 3.19-3.65 Å. There are two shorter (3.02 Å) and one longer (3.29 Å) Nb(1)-Al(1) bond length. V(1) is bonded in a 2-coordinate geometry to three equivalent Nb(1) and two equivalent Al(1) atoms. There is one shorter (1.73 Å) and one longer (2.22 Å) V(1)-Al(1) bond length. Al(1) is bonded in a distorted L-shaped geometry to three equivalent Nb(1) and two equivalent V(1) atoms.