data_VCr3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.51
_cell_length_b   2.51
_cell_length_c   9.05
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   VCr3
_chemical_formula_sum   'V1 Cr3'
_cell_volume   49.38
_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  1.0  0.45  0.32  1.0
  Cr  Cr1  1  1.0  0.45  0.73  1.0
  Cr  Cr2  1  0.0  0.0  0.52  1.0

data_VCr3
_symmetry_space_group_name_H-M   Cm
_cell_length_a   2.51
_cell_length_b   4.35
_cell_length_c   9.05
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   VCr3
_chemical_formula_sum   'V2 Cr6'
_cell_volume   98.76
_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  0.52  1.0
  Cr  Cr2  2  0.45  0.0  0.32  1.0
  Cr  Cr3  2  0.45  0.0  0.73  1.0

V Cr Cr Cr
V Cr Cr Cr 0 0 + + o 0 0 o + o 0 0 + o o 0 2 - o - 0 2 - - - 1 1 + + o 1 1 o + o 1 1 + o o 1 3 + + o 1 3 + o o 2 3 o o o 2 3 + + o 2 3 + o o 2 3 + o 2 2 + + o 2 2 o + o 2 2 + o o 3 3 + + o 3 3 o + o 3 3 + o o 
VCr3 is Titanium Disilicide-like structured and crystallizes in the monoclinic Cm space group. V(1) is bonded in a 10-coordinate geometry to six equivalent V(1), two equivalent Cr(1), and two equivalent Cr(2) atoms. All V(1)-V(1) bond lengths are 2.51 Å. There is one shorter (3.07 Å) and one longer (3.18 Å) V(1)-Cr(1) bond length. There is one shorter (2.69 Å) and one longer (2.81 Å) V(1)-Cr(2) bond length. There are three inequivalent Cr sites. In the first Cr site, Cr(1) is bonded in a 10-coordinate geometry to two equivalent V(1), two equivalent Cr(3), and six equivalent Cr(1) atoms. There is one shorter (2.18 Å) and one longer (2.33 Å) Cr(1)-Cr(3) bond length. All Cr(1)-Cr(1) bond lengths are 2.51 Å. In the second Cr site, Cr(2) is bonded in a 10-coordinate geometry to two equivalent V(1), two equivalent Cr(3), and six equivalent Cr(2) atoms. There is one shorter (2.18 Å) and one longer (2.33 Å) Cr(2)-Cr(3) bond length. All Cr(2)-Cr(2) bond lengths are 2.51 Å. In the third Cr site, Cr(3) is bonded in a 10-coordinate geometry to two equivalent Cr(1), two equivalent Cr(2), and six equivalent Cr(3) atoms. All Cr(3)-Cr(3) bond lengths are 2.51 Å.