data_V2NiBi
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.02
_cell_length_b   5.02
_cell_length_c   5.02
_cell_angle_alpha   135.63
_cell_angle_beta   135.63
_cell_angle_gamma   64.56
_symmetry_Int_Tables_number   1
_chemical_formula_structural   V2NiBi
_chemical_formula_sum   'V2 Ni1 Bi1'
_cell_volume   61.02
_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
  V  V2  1  0.0  0.9  0.12  1.0
  V  V3  1  0.9  0.0  0.12  1.0
  Ni  Ni1  1  0.0  0.0  0.0  1.0
  Bi  Bi0  1  0.0  0.0  0.24  1.0

data_V2NiBi
_symmetry_space_group_name_H-M   Cm
_cell_length_a   5.36
_cell_length_b   5.36
_cell_length_c   5.02
_cell_angle_alpha   90.0
_cell_angle_beta   122.28
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   V2NiBi
_chemical_formula_sum   'V4 Ni2 Bi2'
_cell_volume   122.04
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  'x, -y, z'
  3  'x+1/2, y+1/2, z'
  4  'x+1/2, -y+1/2, 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
  V  V0  4  0.33  0.55  0.77  1.0
  Ni  Ni1  2  0.0  0.0  0.0  1.0
  Bi  Bi2  2  0.26  0.5  0.76  1.0

V V Ni Bi
V V Ni Bi 0 3 o + o 0 2 o + o 1 3 + o o 1 2 + o o 2 3 o o o 
V2NiBi is alpha Niobium phosphide-derived structured and crystallizes in the monoclinic Cm space group. The structure is zero-dimensional and consists of two V2NiBi clusters. V(1) is bonded in a distorted single-bond geometry to one Ni(1) and one Bi(1) atom. The V(1)-Ni(1) bond length is 1.05 Å. The V(1)-Bi(1) bond length is 0.44 Å. Ni(1) is bonded in a 2-coordinate geometry to two equivalent V(1) atoms. Bi(1) is bonded in an L-shaped geometry to two equivalent V(1) atoms.