data_VFe2Ni
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.49
_cell_length_b   2.49
_cell_length_c   7.22
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   VFe2Ni
_chemical_formula_sum   'V1 Fe2 Ni1'
_cell_volume   44.62
_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  V3  1  0.0  0.0  0.42  1.0
  Fe  Fe0  1  0.24  0.24  0.15  1.0
  Fe  Fe1  1  0.0  0.0  0.72  1.0
  Ni  Ni2  1  0.24  0.24  0.55  1.0

data_VFe2Ni
_symmetry_space_group_name_H-M   Cm
_cell_length_a   3.51
_cell_length_b   3.51
_cell_length_c   7.22
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   VFe2Ni
_chemical_formula_sum   'V2 Fe4 Ni2'
_cell_volume   89.25
_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  2  0.0  0.0  0.42  1.0
  Fe  Fe1  2  0.0  0.0  0.72  1.0
  Fe  Fe2  2  0.24  0.0  0.15  1.0
  Ni  Ni3  2  0.24  0.0  0.55  1.0

V Fe Fe Ni
VFe2Ni crystallizes in the monoclinic Cm space group. The structure is zero-dimensional and consists of two VFe2Ni clusters. V(1) is bonded in a distorted single-bond geometry to one Fe(1) and one Ni(1) atom. The V(1)-Fe(1) bond length is 2.15 Å. The V(1)-Ni(1) bond length is 1.23 Å. There are two inequivalent Fe sites. In the first Fe site, Fe(1) is bonded in a distorted single-bond geometry to one V(1) atom. In the second Fe site, Fe(2) is bonded in a single-bond geometry to one Ni(1) atom. The Fe(2)-Ni(1) bond length is 1.49 Å. Ni(1) is bonded in a 2-coordinate geometry to one V(1) and one Fe(2) atom.