# generated using pymatgen
data_C3N
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.32507100
_cell_length_b   4.77556700
_cell_length_c   9.12560400
_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   188.48630577
_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  0.13798400  0.31671400  0.43373100  1.0
  C  C1  1  0.36201600  0.68328600  0.93373100  1.0
  C  C2  1  0.63798400  0.18328600  0.56626900  1.0
  C  C3  1  0.86201600  0.81671400  0.06626900  1.0
  C  C4  1  0.65554200  0.83480900  0.93653200  1.0
  C  C5  1  0.84445800  0.16519100  0.43653200  1.0
  C  C6  1  0.15554200  0.66519100  0.06346800  1.0
  C  C7  1  0.34445800  0.33480900  0.56346800  1.0
  C  C8  1  0.71254300  0.05300600  0.69284300  1.0
  C  C9  1  0.78745700  0.94699400  0.19284300  1.0
  C  C10  1  0.21254300  0.44699400  0.30715700  1.0
  C  C11  1  0.28745700  0.55300600  0.80715700  1.0
  N  N12  1  0.74042900  0.98518800  0.82073700  1.0
  N  N13  1  0.75957100  0.01481200  0.32073700  1.0
  N  N14  1  0.24042900  0.51481200  0.17926300  1.0
  N  N15  1  0.25957100  0.48518800  0.67926300  1.0