data_[Na2Mg1H4S2O8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Na  0.9300  1.8000  1.1600
  Mg  1.3100  1.5000  0.8600
  H  2.2000  0.2500  0.0000
  S  2.5800  1.0000  0.8800
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [5.2430]
_cell_length_b [5.9845]
_cell_length_c [7.5884]
_cell_angle_alpha [100.2200]
_cell_angle_beta [109.3816]
_cell_angle_gamma [106.8870]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [Na2MgH4(SO4)2]
_chemical_formula_sum '[Na2 Mg1 H4 S2 O8]'
_cell_volume [204.7939]
_cell_formula_units_Z [1]
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  2  0.3292  0.0009  0.6686  1.0
  Mg  Mg1  1  0.5000  0.5000  0.5000  1.0
  H  H2  2  0.1585  0.0531  0.2114  1.0
  H  H3  2  0.2744  0.2422  0.1075  1.0
  S  S4  2  0.0700  0.3905  0.7375  1.0
  O  O5  2  0.1288  0.2110  0.8558  1.0
  O  O6  2  0.1548  0.3109  0.5637  1.0
  O  O7  2  0.2685  0.7029  0.3632  1.0
  O  O8  2  0.3294  0.2040  0.2347  1.0
]