# generated using pymatgen
data_C3N
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.75688851
_cell_length_b   3.75689151
_cell_length_c   6.26474128
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   119.99998096
_symmetry_Int_Tables_number   1
_chemical_formula_structural   C3N
_chemical_formula_sum   'C6 N2'
_cell_volume   76.57567188
_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  0.76256435  0.76256391  0.75000000  1.0
  C  C1  1  0.23743568  1.00000000  0.75000000  1.0
  C  C2  1  0.00000044  0.23743609  0.75000000  1.0
  C  C3  1  0.23754385  0.23754456  0.25000000  1.0
  C  C4  1  0.76245661  0.00000000  0.25000000  1.0
  C  C5  1  0.99999928  0.76245544  0.25000000  1.0
  N  N6  1  0.99999990  0.00000000  0.00014766  1.0
  N  N7  1  0.99999990  0.00000000  0.49985234  1.0