data_VC2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.61
_cell_length_b   2.61
_cell_length_c   7.64
_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   45.16
_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  0.31  0.75  0.73  1.0
  V  V5  1  0.0  0.51  0.91  1.0
  C  C0  1  0.31  0.75  0.57  1.0
  C  C1  1  0.0  0.51  0.4  1.0
  C  C2  1  0.0  0.51  0.07  1.0
  C  C3  1  0.31  0.75  0.25  1.0

data_VC2
_symmetry_space_group_name_H-M   P-1
_cell_length_a   2.61
_cell_length_b   2.61
_cell_length_c   7.64
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   2
_chemical_formula_structural   VC2
_chemical_formula_sum   'V2 C4'
_cell_volume   45.16
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '-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  2  0.15  0.62  0.41  1.0
  C  C1  2  0.15  0.62  0.25  1.0
  C  C2  2  0.15  0.62  0.93  1.0

V V C C C C
V V C C C C 0 2 o o o 1 4 o o + 2 3 o o o 3 5 o o o 4 5 o o o 