data_N3O
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.66
_cell_length_b   5.66
_cell_length_c   5.66
_cell_angle_alpha   155.42
_cell_angle_beta   155.42
_cell_angle_gamma   35.04
_symmetry_Int_Tables_number   1
_chemical_formula_structural   N3O
_chemical_formula_sum   'N3 O1'
_cell_volume   31.39
_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
  N  N0  1  0.0  0.0  0.0  1.0
  N  N1  1  0.21  0.0  0.7  1.0
  N  N2  1  0.0  0.21  0.7  1.0
  O  O3  1  0.0  0.0  0.4  1.0

data_N3O
_symmetry_space_group_name_H-M   Cm
_cell_length_a   3.41
_cell_length_b   3.41
_cell_length_c   5.66
_cell_angle_alpha   90.0
_cell_angle_beta   107.52
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   N3O
_chemical_formula_sum   'N6 O2'
_cell_volume   62.79
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  'x, -y, z'
  3  'x+1/2, y+1/2, z'
  4  'x+1/2, -y+1/2, 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
  N  N0  4  0.1  0.4  0.5  1.0
  N  N1  2  0.0  0.0  0.0  1.0
  O  O2  2  0.4  0.0  0.4  1.0

N N N O
N N N O 0 2 o o - 0 0 + o + 0 0 o + + 0 1 o o - 0 3 o o o 1 3 o o o 1 2 o o o 2 3 o o o 