data_VC2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.92
_cell_length_b   2.92
_cell_length_c   7.77
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   VC2
_chemical_formula_sum   'V2 C4'
_cell_volume   57.32
_cell_formula_units_Z   2
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  V4  1  0.0  0.0  0.89  1.0
  V  V5  1  0.0  0.0  0.0  1.0
  C  C0  1  0.46  0.84  0.6  1.0
  C  C1  1  0.0  0.68  0.49  1.0
  C  C2  1  0.46  0.84  0.28  1.0
  C  C3  1  0.0  0.68  0.17  1.0

data_VC2
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.92
_cell_length_b   2.92
_cell_length_c   7.77
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   VC2
_chemical_formula_sum   'V2 C4'
_cell_volume   57.32
_cell_formula_units_Z   2
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  0.0  1.0
  V  V1  1  0.0  0.0  0.89  1.0
  C  C2  1  0.0  0.68  0.17  1.0
  C  C3  1  0.0  0.68  0.49  1.0
  C  C4  1  0.46  0.84  0.28  1.0
  C  C5  1  0.46  0.84  0.6  1.0

V V C C C C
V V C C C C 0 1 o o + 1 5 o - o 2 3 o o o 4 5 o o o 
C2V crystallizes in the triclinic P1 space group. There are two inequivalent V sites. In the first V site, V(1) is bonded in a 3-coordinate geometry to one V(2) and two equivalent C(1) atoms. The V(1)-V(2) bond length is 0.89 Å. There is one shorter (2.59 Å) and one longer (2.72 Å) V(1)-C(1) bond length. In the second V site, V(2) is bonded in a 3-coordinate geometry to one V(1) and two equivalent C(4) atoms. There is one shorter (1.58 Å) and one longer (2.38 Å) V(2)-C(4) bond length. There are four inequivalent C sites. In the first C site, C(1) is bonded in a 4-coordinate geometry to two equivalent V(1) and two equivalent C(2) atoms. There is one shorter (1.48 Å) and one longer (2.06 Å) C(1)-C(2) bond length. In the second C site, C(2) is bonded in a 3-coordinate geometry to one C(3) and two equivalent C(1) atoms. The C(2)-C(3) bond length is 2.01 Å. In the third C site, C(3) is bonded in a 1-coordinate geometry to one C(2) and one C(4) atom. The C(3)-C(4) bond length is 1.48 Å. In the fourth C site, C(4) is bonded in a distorted single-bond geometry to two equivalent V(2) and one C(3) atom.