data_VCr3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.75
_cell_length_b   7.75
_cell_length_c   7.75
_cell_angle_alpha   20.38
_cell_angle_beta   20.38
_cell_angle_gamma   20.38
_symmetry_Int_Tables_number   1
_chemical_formula_structural   VCr3
_chemical_formula_sum   'V1 Cr3'
_cell_volume   49.37
_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  0.12  1.0
  Cr  Cr1  1  0.0  0.0  0.38  1.0
  Cr  Cr2  1  0.0  0.0  0.63  1.0

data_VCr3
_symmetry_space_group_name_H-M   Cm
_cell_length_a   4.75
_cell_length_b   2.74
_cell_length_c   7.75
_cell_angle_alpha   90.0
_cell_angle_beta   101.79
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   VCr3
_chemical_formula_sum   'V2 Cr6'
_cell_volume   98.73
_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  0.62  1.0
  Cr  Cr2  2  0.0  0.0  0.88  1.0
  Cr  Cr3  2  0.0  0.0  0.37  1.0

V Cr Cr Cr
V Cr Cr Cr 0 1 o o o 1 2 o o o 2 3 o o o 
VCr3 crystallizes in the monoclinic Cm space group. V(1) is bonded in a single-bond geometry to one Cr(1) and one Cr(3) atom. The V(1)-Cr(1) bond length is 0.93 Å. The V(1)-Cr(3) bond length is 2.83 Å. There are three inequivalent Cr sites. In the first Cr site, Cr(1) is bonded in a single-bond geometry to one V(1) and one Cr(2) atom. The Cr(1)-Cr(2) bond length is 1.99 Å. In the second Cr site, Cr(2) is bonded in a distorted linear geometry to one Cr(1) and one Cr(3) atom. The Cr(2)-Cr(3) bond length is 1.99 Å. In the third Cr site, Cr(3) is bonded in a 8-coordinate geometry to one V(1), one Cr(2), and six equivalent Cr(3) atoms. All Cr(3)-Cr(3) bond lengths are 2.74 Å.