# generated using pymatgen
data_C3N
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.23247937
_cell_length_b   5.23247937
_cell_length_c   2.39343200
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   101.95490355
_symmetry_Int_Tables_number   1
_chemical_formula_structural   C3N
_chemical_formula_sum   'C3 N1'
_cell_volume   64.10812168
_cell_formula_units_Z   1
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  0.50000000  1.0
  C  C1  1  0.58078800  0.41921200  0.00000000  1.0
  C  C2  1  0.41921200  0.58078800  0.00000000  1.0
  N  N3  1  0.00000000  0.00000000  0.00000000  1.0