data_Na2O2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.28
_cell_length_b   6.28
_cell_length_c   4.51
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Na2O2
_chemical_formula_sum   'Na6 O6'
_cell_volume   153.91
_cell_formula_units_Z   3
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  Na6  1  0.8  0.81  0.25  1.0
  Na  Na7  1  0.94  0.63  0.25  1.0
  Na  Na8  1  0.39  0.0  0.25  1.0
  Na  Na9  1  0.85  0.99  0.0  1.0
  Na  Na10  1  0.99  0.45  0.0  1.0
  Na  Na11  1  0.3  0.0  0.0  1.0
  O  O0  1  0.14  0.81  0.48  1.0
  O  O1  1  0.14  0.81  0.03  1.0
  O  O2  1  0.0  0.63  0.03  1.0
  O  O3  1  0.0  0.63  0.48  1.0
  O  O4  1  0.0  0.0  0.74  1.0
  O  O5  1  0.0  0.0  0.77  1.0

data_Na2O2
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.51
_cell_length_b   6.28
_cell_length_c   6.28
_cell_angle_alpha   120.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Na2O2
_chemical_formula_sum   'Na6 O6'
_cell_volume   153.91
_cell_formula_units_Z   3
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  0.0  0.3  0.0  1.0
  Na  Na1  1  0.0  0.99  0.45  1.0
  Na  Na2  1  0.0  0.85  0.99  1.0
  Na  Na3  1  0.25  0.39  0.0  1.0
  Na  Na4  1  0.25  0.8  0.81  1.0
  Na  Na5  1  0.25  0.94  0.63  1.0
  O  O6  1  0.03  0.0  0.63  1.0
  O  O7  1  0.03  0.14  0.81  1.0
  O  O8  1  0.48  0.0  0.63  1.0
  O  O9  1  0.48  0.14  0.81  1.0
  O  O10  1  0.74  0.0  0.0  1.0
  O  O11  1  0.77  0.0  0.0  1.0

Na Na Na Na Na Na O O O O O O
Na Na Na Na Na Na O O O O O O 0 3 o o o 0 1 o o o 1 8 + o o 1 9 + o o 2 5 o o o 3 11 + + - 3 10 + + - 4 8 + o o 5 7 o - o 6 9 o o o 7 8 o o o 10 11 o o o 