# generated using pymatgen
data_VCN2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.89847400
_cell_length_b   2.89943091
_cell_length_c   10.14473300
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   119.98908317
_symmetry_Int_Tables_number   1
_chemical_formula_structural   VCN2
_chemical_formula_sum   'V2 C2 N4'
_cell_volume   73.84161568
_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  0.00000000  0.00000000  0.00000000  1.0
  V  V1  1  0.00000000  0.00000000  0.50000000  1.0
  C  C2  1  0.66681300  0.33362400  0.25000000  1.0
  C  C3  1  0.33318700  0.66637600  0.75000000  1.0
  N  N4  1  0.66678000  0.33356200  0.12728600  1.0
  N  N5  1  0.33322000  0.66643800  0.87271400  1.0
  N  N6  1  0.33322000  0.66643800  0.62728600  1.0
  N  N7  1  0.66678000  0.33356200  0.37271400  1.0