data_[Na2H2O2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Na  0.9300  1.8000  1.1600
  H  2.2000  0.2500  0.0000
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [Pm]
_cell_length_a [3.3805]
_cell_length_b [3.6431]
_cell_length_c [5.6492]
_cell_angle_alpha [90.0000]
_cell_angle_beta [100.1851]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [6]
_chemical_formula_structural [NaHO]
_chemical_formula_sum '[Na2 H2 O2]'
_cell_volume [68.4769]
_cell_formula_units_Z [2]
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  0.0835  0.0000  0.3090  1.0
  Na  Na1  1  0.8978  0.5000  0.7341  1.0
  H  H2  1  0.4545  0.0000  0.8889  1.0
  H  H3  1  0.4769  0.5000  0.3782  1.0
  O  O4  1  0.3806  0.0000  0.7147  1.0
  O  O5  1  0.6494  0.5000  0.2578  1.0
]