# generated using pymatgen
data_C3N4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.45052653
_cell_length_b   6.45052653
_cell_length_c   2.42314000
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   120.00000547
_symmetry_Int_Tables_number   1
_chemical_formula_structural   C3N4
_chemical_formula_sum   'C6 N8'
_cell_volume   87.31712878
_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  0.17834000  0.77324500  0.25000000  1.0
  C  C1  1  0.22675500  0.40509500  0.25000000  1.0
  C  C2  1  0.59490500  0.82166000  0.25000000  1.0
  C  C3  1  0.82166000  0.22675500  0.75000000  1.0
  C  C4  1  0.77324500  0.59490500  0.75000000  1.0
  C  C5  1  0.40509500  0.17834000  0.75000000  1.0
  N  N6  1  0.32988700  0.03330700  0.25000000  1.0
  N  N7  1  0.96669300  0.29658000  0.25000000  1.0
  N  N8  1  0.70342000  0.67011300  0.25000000  1.0
  N  N9  1  0.67011300  0.96669300  0.75000000  1.0
  N  N10  1  0.03330700  0.70342000  0.75000000  1.0
  N  N11  1  0.29658000  0.32988700  0.75000000  1.0
  N  N12  1  0.33333300  0.66666700  0.25000000  1.0
  N  N13  1  0.66666700  0.33333300  0.75000000  1.0