# generated using pymatgen
data_C3N4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.79594891
_cell_length_b   4.79594891
_cell_length_c   4.79594891
_cell_angle_alpha   60.00000000
_cell_angle_beta   60.00000000
_cell_angle_gamma   60.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   C3N4
_chemical_formula_sum   'C6 N8'
_cell_volume   78.00252253
_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  0.00000000  0.00000000  0.00000000  1.0
  C  C1  1  0.25000000  0.25000000  0.25000000  1.0
  C  C2  1  0.62500000  0.12500000  0.62500000  1.0
  C  C3  1  0.62500000  0.62500000  0.12500000  1.0
  C  C4  1  0.12500000  0.62500000  0.62500000  1.0
  C  C5  1  0.62500000  0.62500000  0.62500000  1.0
  N  N6  1  0.86914200  0.39257400  0.86914200  1.0
  N  N7  1  0.38085800  0.38085800  0.85742600  1.0
  N  N8  1  0.85742600  0.38085800  0.38085800  1.0
  N  N9  1  0.38085800  0.38085800  0.38085800  1.0
  N  N10  1  0.39257400  0.86914200  0.86914200  1.0
  N  N11  1  0.86914200  0.86914200  0.86914200  1.0
  N  N12  1  0.86914200  0.86914200  0.39257400  1.0
  N  N13  1  0.38085800  0.85742600  0.38085800  1.0