# generated using pymatgen
data_C3N
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.36285593
_cell_length_b   5.36285593
_cell_length_c   5.36285593
_cell_angle_alpha   143.65204853
_cell_angle_beta   100.80230235
_cell_angle_gamma   90.40947786
_symmetry_Int_Tables_number   1
_chemical_formula_structural   C3N
_chemical_formula_sum   'C6 N2'
_cell_volume   86.41992728
_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  0.25000000  0.82507700  0.57507700  1.0
  C  C1  1  0.75000000  0.17492300  0.42492300  1.0
  C  C2  1  0.09967700  0.52133700  0.12101400  1.0
  C  C3  1  0.90032300  0.47866300  0.87898600  1.0
  C  C4  1  0.59967700  0.47866300  0.57834000  1.0
  C  C5  1  0.40032300  0.52133700  0.42166000  1.0
  N  N6  1  0.75000000  0.77693900  0.02693900  1.0
  N  N7  1  0.25000000  0.22306100  0.97306100  1.0