# generated using pymatgen
data_C3N
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.73212700
_cell_length_b   6.55821900
_cell_length_c   6.83438500
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   C3N
_chemical_formula_sum   'C12 N4'
_cell_volume   167.27913308
_cell_formula_units_Z   4
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
  C  C0  1  0.26874000  0.68121100  0.24551400  1.0
  C  C1  1  0.23126000  0.31878900  0.74551400  1.0
  C  C2  1  0.76874000  0.81878900  0.75448600  1.0
  C  C3  1  0.73126000  0.18121100  0.25448600  1.0
  C  C4  1  0.95434400  0.79569200  0.25054500  1.0
  C  C5  1  0.54565600  0.20430800  0.75054500  1.0
  C  C6  1  0.45434400  0.70430800  0.74945500  1.0
  C  C7  1  0.04565600  0.29569200  0.24945500  1.0
  C  C8  1  0.76166400  0.96988100  0.26237100  1.0
  C  C9  1  0.73833600  0.03011900  0.76237100  1.0
  C  C10  1  0.26166400  0.53011900  0.73762900  1.0
  C  C11  1  0.23833600  0.46988100  0.23762900  1.0
  N  N12  1  0.58351200  0.77946400  0.30714400  1.0
  N  N13  1  0.91648800  0.22053600  0.80714400  1.0
  N  N14  1  0.08351200  0.72053600  0.69285600  1.0
  N  N15  1  0.41648800  0.27946400  0.19285600  1.0