data_VFe2Ru
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.62
_cell_length_b   3.5
_cell_length_c   5.26
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   VFe2Ru
_chemical_formula_sum   'V1 Fe2 Ru1'
_cell_volume   48.2
_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  0.04  1.0
  Fe  Fe0  1  0.31  0.75  0.07  1.0
  Fe  Fe1  1  0.0  0.0  0.2  1.0
  Ru  Ru2  1  0.31  0.75  0.57  1.0

data_VFe2Ru
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.62
_cell_length_b   3.5
_cell_length_c   5.26
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   VFe2Ru
_chemical_formula_sum   'V1 Fe2 Ru1'
_cell_volume   48.2
_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  V0  1  0.0  0.0  0.04  1.0
  Fe  Fe1  1  0.0  0.0  0.2  1.0
  Fe  Fe2  1  0.31  0.75  0.07  1.0
  Ru  Ru3  1  0.31  0.75  0.57  1.0

V Fe Fe Ru
VRuFe2 crystallizes in the triclinic P1 space group. The structure is zero-dimensional and consists of one VRuFe2 cluster. V(1) is bonded in a 2-coordinate geometry to one Fe(1) and one Fe(2) atom. The V(1)-Fe(1) bond length is 1.21 Å. The V(1)-Fe(2) bond length is 0.84 Å. Ru(1) is bonded in a 1-coordinate geometry to one Fe(2) atom. The Ru(1)-Fe(2) bond length is 2.27 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 V(1) and one Ru(1) atom.