data_VCr2Fe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.7
_cell_length_b   8.7
_cell_length_c   8.7
_cell_angle_alpha   16.68
_cell_angle_beta   16.68
_cell_angle_gamma   16.68
_symmetry_Int_Tables_number   1
_chemical_formula_structural   VCr2Fe
_chemical_formula_sum   'V1 Cr2 Fe1'
_cell_volume   47.28
_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
  Cr  Cr0  1  0.0  0.0  0.29  1.0
  Cr  Cr1  1  0.0  0.0  0.44  1.0
  Fe  Fe2  1  0.0  0.0  0.86  1.0

data_VCr2Fe
_symmetry_space_group_name_H-M   Cm
_cell_length_a   4.37
_cell_length_b   2.52
_cell_length_c   8.7
_cell_angle_alpha   90.0
_cell_angle_beta   99.64
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   VCr2Fe
_chemical_formula_sum   'V2 Cr4 Fe2'
_cell_volume   94.56
_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
  Cr  Cr1  2  0.0  0.0  0.56  1.0
  Cr  Cr2  2  0.0  0.0  0.71  1.0
  Fe  Fe3  2  0.0  0.0  0.14  1.0

V Cr Cr Fe
V Cr Cr Fe 0 3 o o - 1 2 o o o 
(Cr)2FeV crystallizes in the monoclinic Cm space group. The structure is zero-dimensional and consists of two Cr clusters and two FeV clusters. In each Cr cluster, there are two inequivalent Cr sites. In the first Cr site, Cr(1) is bonded in a distorted single-bond geometry to one Cr(2) atom. The Cr(1)-Cr(2) bond length is 1.30 Å. In the second Cr site, Cr(2) is bonded in a single-bond geometry to one Cr(1) atom. In each FeV cluster, V(1) is bonded in a single-bond geometry to one Fe(1) atom. The V(1)-Fe(1) bond length is 1.21 Å. Fe(1) is bonded in a single-bond geometry to one V(1) atom.