data_O2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.16
_cell_length_b   5.24
_cell_length_c   5.89
_cell_angle_alpha   90.24
_cell_angle_beta   90.5
_cell_angle_gamma   90.26
_symmetry_Int_Tables_number   1
_chemical_formula_structural   O2
_chemical_formula_sum   O10
_cell_volume   159.27
_cell_formula_units_Z   5
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
  O  O0  1  0.41  0.59  0.82  1.0
  O  O1  1  0.43  0.21  0.78  1.0
  O  O2  1  0.88  0.17  0.01  1.0
  O  O3  1  0.08  0.34  0.08  1.0
  O  O4  1  0.56  0.56  0.09  1.0
  O  O5  1  0.2  0.5  0.11  1.0
  O  O6  1  0.74  0.16  0.84  1.0
  O  O7  1  0.05  0.36  0.87  1.0
  O  O8  1  0.12  0.97  0.95  1.0
  O  O9  1  0.52  0.58  0.84  1.0

data_O2
_symmetry_space_group_name_H-M   P1
_cell_length_a   5.16
_cell_length_b   5.24
_cell_length_c   5.89
_cell_angle_alpha   90.24
_cell_angle_beta   90.5
_cell_angle_gamma   90.26
_symmetry_Int_Tables_number   1
_chemical_formula_structural   O2
_chemical_formula_sum   O10
_cell_volume   159.27
_cell_formula_units_Z   5
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
  O  O0  1  0.05  0.36  0.87  1.0
  O  O1  1  0.08  0.34  0.08  1.0
  O  O2  1  0.12  0.97  0.95  1.0
  O  O3  1  0.2  0.5  0.11  1.0
  O  O4  1  0.41  0.59  0.82  1.0
  O  O5  1  0.43  0.21  0.78  1.0
  O  O6  1  0.52  0.58  0.84  1.0
  O  O7  1  0.56  0.56  0.09  1.0
  O  O8  1  0.74  0.16  0.84  1.0
  O  O9  1  0.88  0.17  0.01  1.0

O O O O O O O O O O
O O O O O O O O O O 0 9 o o o 0 1 o o o 0 4 o o + 1 6 o o o 1 9 o o o 2 6 o o - 2 3 + o o 2 8 + - - 3 7 o o - 3 5 o o o 4 9 o o - 