data_[Na4H12O8]
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 [C2/m]
_cell_length_a [7.8686]
_cell_length_b [9.3821]
_cell_length_c [3.6866]
_cell_angle_alpha [90.0000]
_cell_angle_beta [113.9078]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [NaH3O2]
_chemical_formula_sum '[Na4 H12 O8]'
_cell_volume [248.8109]
_cell_formula_units_Z [4]
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  4  0.0000  0.3321  0.5000  1.0
  H  H1  8  0.1065  0.1134  0.1583  1.0
  H  H2  4  0.2427  0.0000  0.6578  1.0
  O  O3  4  0.0000  0.1806  0.0000  1.0
  O  O4  4  0.2319  0.5000  0.5800  1.0
]