data_NaO2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.15
_cell_length_b   6.5
_cell_length_c   9.38
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NaO2
_chemical_formula_sum   'Na8 O16'
_cell_volume   313.79
_cell_formula_units_Z   8
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
  Na  Na0  1  0.77  0.79  0.84  1.0
  Na  Na1  1  0.35  0.96  0.54  1.0
  Na  Na2  1  0.37  0.54  0.23  1.0
  Na  Na3  1  0.8  0.71  0.15  1.0
  Na  Na4  1  0.37  0.71  0.54  1.0
  Na  Na5  1  0.8  0.54  0.84  1.0
  Na  Na6  1  0.77  0.96  0.15  1.0
  Na  Na7  1  0.35  0.79  0.23  1.0
  O  O8  1  0.43  0.25  0.78  1.0
  O  O9  1  0.0  1.0  0.6  1.0
  O  O10  1  0.72  0.5  0.29  1.0
  O  O11  1  0.15  0.25  0.09  1.0
  O  O12  1  0.72  0.25  0.6  1.0
  O  O13  1  0.15  0.5  0.78  1.0
  O  O14  1  0.43  1.0  0.09  1.0
  O  O15  1  0.0  0.25  0.29  1.0
  O  O16  1  0.97  0.37  0.16  1.0
  O  O17  1  0.4  0.88  0.22  1.0
  O  O18  1  0.17  0.62  0.91  1.0
  O  O19  1  0.75  0.13  0.47  1.0
  O  O20  1  0.17  0.13  0.22  1.0
  O  O21  1  0.75  0.62  0.16  1.0
  O  O22  1  0.97  0.88  0.47  1.0
  O  O23  1  0.4  0.37  0.91  1.0

data_NaO2
_symmetry_space_group_name_H-M   P-1
_cell_length_a   5.15
_cell_length_b   6.5
_cell_length_c   9.38
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   2
_chemical_formula_structural   NaO2
_chemical_formula_sum   'Na8 O16'
_cell_volume   313.79
_cell_formula_units_Z   8
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '-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
  Na  Na0  2  0.27  0.71  0.35  1.0
  Na  Na1  2  0.27  0.54  0.04  1.0
  Na  Na2  2  0.3  0.29  0.04  1.0
  Na  Na3  2  0.3  0.46  0.35  1.0
  O  O4  2  0.07  0.25  0.59  1.0
  O  O5  2  0.07  1.0  0.9  1.0
  O  O6  2  0.1  0.88  0.03  1.0
  O  O7  2  0.1  0.37  0.72  1.0
  O  O8  2  0.33  0.12  0.72  1.0
  O  O9  2  0.33  0.63  0.03  1.0
  O  O10  2  0.35  0.0  0.59  1.0
  O  O11  2  0.35  0.75  0.9  1.0

Na Na Na Na Na Na Na Na O O O O O O O O O O O O O O O O