data_NO2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.52
_cell_length_b   6.52
_cell_length_c   6.52
_cell_angle_alpha   109.47
_cell_angle_beta   109.47
_cell_angle_gamma   109.47
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NO2
_chemical_formula_sum   'N6 O12'
_cell_volume   212.94
_cell_formula_units_Z   6
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  0.64  0.14  0.0  1.0
  N  N1  1  0.14  0.0  0.64  1.0
  N  N2  1  0.88  0.62  0.0  1.0
  N  N3  1  0.0  0.64  0.14  1.0
  N  N4  1  0.62  0.0  0.88  1.0
  N  N5  1  0.0  0.88  0.62  1.0
  O  O6  1  0.41  0.93  0.14  1.0
  O  O7  1  0.14  0.12  0.83  1.0
  O  O8  1  0.14  0.41  0.93  1.0
  O  O9  1  0.65  0.83  0.38  1.0
  O  O10  1  0.12  0.17  0.62  1.0
  O  O11  1  0.62  0.12  0.17  1.0
  O  O12  1  0.83  0.38  0.65  1.0
  O  O13  1  0.93  0.14  0.41  1.0
  O  O14  1  0.83  0.14  0.12  1.0
  O  O15  1  0.17  0.62  0.12  1.0
  O  O16  1  0.38  0.65  0.83  1.0
  O  O17  1  0.12  0.83  0.14  1.0

data_NO2
_symmetry_space_group_name_H-M   R3
_cell_length_a   10.64
_cell_length_b   10.64
_cell_length_c   6.52
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   146
_chemical_formula_structural   NO2
_chemical_formula_sum   'N18 O36'
_cell_volume   638.83
_cell_formula_units_Z   18
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  'x+2/3, y+1/3, z+1/3'
  5  '-y+2/3, x-y+1/3, z+1/3'
  6  '-x+y+2/3, -x+1/3, z+1/3'
  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'
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  9  0.05  0.83  0.83  1.0
  N  N1  9  0.05  0.59  0.59  1.0
  O  O2  9  0.03  0.24  0.62  1.0
  O  O3  9  0.09  0.89  0.03  1.0
  O  O4  9  0.1  0.42  0.83  1.0
  O  O5  9  0.15  0.35  0.97  1.0

N N N N N N O O O O O O O O O O O O
N N N N N N O O O O O O O O O O O O 0 4 o o - 0 11 o o o 0 14 o o o 1 5 o - o 1 7 o o o 1 10 o o o 2 3 + o o 2 12 o o - 2 17 + o o 3 15 o o o 3 17 o o o 4 14 o o + 4 16 o - o 5 7 o + o 5 9 - o o 6 11 o + o 6 9 o o o 6 16 o o - 7 10 o o o 8 15 o o + 8 12 - o o 8 16 o o o 9 15 o o o 9 10 + + o 9 13 o + o 10 13 - o o 10 16 o o o 11 14 o o o 11 12 o o o 11 16 o - - 12 13 o o o 12 15 + o + 15 17 o o o 