# generated using pymatgen
data_C3N4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.78436420
_cell_length_b   4.78436420
_cell_length_c   7.07749400
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   120.00000281
_symmetry_Int_Tables_number   1
_chemical_formula_structural   C3N4
_chemical_formula_sum   'C6 N8'
_cell_volume   140.30029815
_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
  C  C0  1  0.49004600  0.98009300  0.50000000  1.0
  C  C1  1  0.49004600  0.50995400  0.50000000  1.0
  C  C2  1  0.82365400  0.17634600  0.00000000  1.0
  C  C3  1  0.82365400  0.64730900  0.00000000  1.0
  C  C4  1  0.01990700  0.50995400  0.50000000  1.0
  C  C5  1  0.35269100  0.17634600  0.00000000  1.0
  N  N6  1  0.50342500  0.49657500  0.00000000  1.0
  N  N7  1  0.17021000  0.34042000  0.50000000  1.0
  N  N8  1  0.17021000  0.82979000  0.50000000  1.0
  N  N9  1  0.00000000  0.00000000  0.00000000  1.0
  N  N10  1  0.66666700  0.33333300  0.50000000  1.0
  N  N11  1  0.99315000  0.49657500  0.00000000  1.0
  N  N12  1  0.65958000  0.82979000  0.50000000  1.0
  N  N13  1  0.50342500  0.00685000  0.00000000  1.0