data_C3N2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.09
_cell_length_b   5.09
_cell_length_c   5.09
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   C3N2
_chemical_formula_sum   'C12 N8'
_cell_volume   131.99
_cell_formula_units_Z   4
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  0.0  0.34  0.75  1.0
  C  C1  1  0.34  0.34  0.0  1.0
  C  C2  1  0.34  0.0  0.75  1.0
  C  C3  1  0.0  0.75  0.34  1.0
  C  C4  1  0.34  0.75  0.0  1.0
  C  C5  1  0.34  0.0  0.34  1.0
  C  C6  1  0.0  0.34  0.34  1.0
  C  C7  1  0.75  0.34  0.0  1.0
  C  C8  1  0.75  0.0  0.34  1.0
  C  C9  1  0.0  0.75  0.75  1.0
  C  C10  1  0.75  0.75  0.0  1.0
  C  C11  1  0.75  0.0  0.75  1.0
  N  N12  1  0.85  0.85  0.24  1.0
  N  N13  1  0.85  0.24  0.85  1.0
  N  N14  1  0.24  0.85  0.85  1.0
  N  N15  1  0.24  0.24  0.24  1.0
  N  N16  1  0.24  0.24  0.85  1.0
  N  N17  1  0.24  0.85  0.24  1.0
  N  N18  1  0.85  0.24  0.24  1.0
  N  N19  1  0.85  0.85  0.85  1.0

data_C3N2
_symmetry_space_group_name_H-M   R3m
_cell_length_a   7.2
_cell_length_b   7.2
_cell_length_c   8.82
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   160
_chemical_formula_structural   C3N2
_chemical_formula_sum   'C36 N24'
_cell_volume   395.96
_cell_formula_units_Z   12
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '-y, x-y, z'
  3  '-x+y, -x, z'
  4  '-y, -x, z'
  5  '-x+y, y, z'
  6  'x, x-y, z'
  7  'x+1/3, y+2/3, z+2/3'
  8  '-y+1/3, x-y+2/3, z+2/3'
  9  '-x+y+1/3, -x+2/3, z+2/3'
  10  '-y+1/3, -x+2/3, z+2/3'
  11  '-x+y+1/3, y+2/3, z+2/3'
  12  'x+1/3, x-y+2/3, z+2/3'
  13  'x+2/3, y+1/3, z+1/3'
  14  '-y+2/3, x-y+1/3, z+1/3'
  15  '-x+y+2/3, -x+1/3, z+1/3'
  16  '-y+2/3, -x+1/3, z+1/3'
  17  '-x+y+2/3, y+1/3, z+1/3'
  18  'x+2/3, x-y+1/3, z+1/3'
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  18  0.05  0.36  0.7  1.0
  C  C1  9  0.11  0.55  0.89  1.0
  C  C2  9  0.17  0.08  0.83  1.0
  N  N3  9  0.08  0.54  0.78  1.0
  N  N4  9  0.21  0.41  0.65  1.0
  N  N5  3  0.0  0.0  0.24  1.0
  N  N6  3  0.0  0.0  0.85  1.0

C C C C C C C C C C C C N N N N N N N N