# generated using pymatgen
data_C3N
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.91554600
_cell_length_b   5.91554600
_cell_length_c   5.91554600
_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   207.00675024
_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  0.40131500  0.29295800  0.83430500  1.0
  C  C1  1  0.16569500  0.90131500  0.20704200  1.0
  C  C2  1  0.79295800  0.66569500  0.59868500  1.0
  C  C3  1  0.90131500  0.20704200  0.16569500  1.0
  C  C4  1  0.66569500  0.59868500  0.79295800  1.0
  C  C5  1  0.29295800  0.83430500  0.40131500  1.0
  C  C6  1  0.59868500  0.79295800  0.66569500  1.0
  C  C7  1  0.83430500  0.40131500  0.29295800  1.0
  C  C8  1  0.20704200  0.16569500  0.90131500  1.0
  C  C9  1  0.09868500  0.70704200  0.33430500  1.0
  C  C10  1  0.33430500  0.09868500  0.70704200  1.0
  C  C11  1  0.70704200  0.33430500  0.09868500  1.0
  N  N12  1  0.41241700  0.91241700  0.58758300  1.0
  N  N13  1  0.91241700  0.58758300  0.41241700  1.0
  N  N14  1  0.58758300  0.41241700  0.91241700  1.0
  N  N15  1  0.08758300  0.08758300  0.08758300  1.0