data_VFeCo2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.33
_cell_length_b   8.33
_cell_length_c   8.33
_cell_angle_alpha   17.21
_cell_angle_beta   17.21
_cell_angle_gamma   17.21
_symmetry_Int_Tables_number   1
_chemical_formula_structural   VFeCo2
_chemical_formula_sum   'V1 Fe1 Co2'
_cell_volume   44.12
_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  0.0  1.0
  Fe  Fe2  1  0.0  0.0  0.3  1.0
  Co  Co0  1  0.0  0.0  0.07  1.0
  Co  Co1  1  0.0  0.0  0.53  1.0

data_VFeCo2
_symmetry_space_group_name_H-M   Cm
_cell_length_a   4.32
_cell_length_b   2.49
_cell_length_c   8.33
_cell_angle_alpha   90.0
_cell_angle_beta   99.95
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   VFeCo2
_chemical_formula_sum   'V2 Fe2 Co4'
_cell_volume   88.25
_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  0.0  1.0
  Fe  Fe1  2  0.0  0.0  0.7  1.0
  Co  Co2  2  0.0  0.0  0.47  1.0
  Co  Co3  2  0.0  0.0  0.93  1.0

V Fe Co Co
V Fe Co Co 0 2 o o o 1 2 o o o 1 3 o o o 3 3 o + - 3 3 + - o 3 3 + o - 
VFeCo2 crystallizes in the monoclinic Cm space group. The structure is zero-dimensional and consists of two VFeCo2 clusters. V(1) is bonded in a single-bond geometry to one Co(1) atom. The V(1)-Co(1) bond length is 0.62 Å. Fe(1) is bonded in a distorted linear geometry to one Co(1) and one Co(2) atom. The Fe(1)-Co(1) bond length is 1.91 Å. The Fe(1)-Co(2) bond length is 1.91 Å. There are two inequivalent Co sites. In the first Co site, Co(1) is bonded in a single-bond geometry to one V(1) and one Fe(1) atom. In the second Co site, Co(2) is bonded in a single-bond geometry to one Fe(1) atom.