data_Nb2VPb
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.4
_cell_length_b   5.4
_cell_length_c   5.4
_cell_angle_alpha   142.25
_cell_angle_beta   129.9
_cell_angle_gamma   64.39
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Nb2VPb
_chemical_formula_sum   'Nb2 V1 Pb1'
_cell_volume   72.96
_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  0.75  0.0  0.11  1.0
  Nb  Nb1  1  0.0  0.29  0.45  1.0
  V  V3  1  0.0  0.0  0.0  1.0
  Pb  Pb2  1  0.0  0.0  0.57  1.0

data_Nb2VPb
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.49
_cell_length_b   4.57
_cell_length_c   5.4
_cell_angle_alpha   115.05
_cell_angle_beta   108.87
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Nb2VPb
_chemical_formula_sum   'Nb2 V1 Pb1'
_cell_volume   72.96
_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  0.55  0.83  0.83  1.0
  Nb  Nb1  1  0.63  0.89  0.63  1.0
  V  V2  1  0.0  0.0  0.0  1.0
  Pb  Pb3  1  0.43  0.43  0.43  1.0

Nb Nb V Pb
Nb Nb V Pb 0 1 + o o 0 2 + o o 0 3 + o o 1 2 o o o 1 3 o o o 2 3 o o - 
Nb2VPb crystallizes in the triclinic P1 space group. There are two inequivalent Nb sites. In the first Nb site, Nb(1) is bonded in a 4-coordinate geometry to one Nb(2), one V(1), and two equivalent Pb(1) atoms. The Nb(1)-Nb(2) bond length is 1.32 Å. The Nb(1)-V(1) bond length is 1.83 Å. There is one shorter (1.89 Å) and one longer (3.11 Å) Nb(1)-Pb(1) bond length. In the second Nb site, Nb(2) is bonded in a 4-coordinate geometry to one Nb(1), two equivalent V(1), and one Pb(1) atom. There is one shorter (1.55 Å) and one longer (2.36 Å) Nb(2)-V(1) bond length. The Nb(2)-Pb(1) bond length is 2.07 Å. V(1) is bonded in a 4-coordinate geometry to one Nb(1), two equivalent Nb(2), and one Pb(1) atom. The V(1)-Pb(1) bond length is 2.33 Å. Pb(1) is bonded in a 4-coordinate geometry to one Nb(2), two equivalent Nb(1), and one V(1) atom.