data_[Na4Mg2H40S4O36]
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 [P2_1/c]
_cell_length_a [12.7114]
_cell_length_b [6.5125]
_cell_length_c [10.1917]
_cell_angle_alpha [90.0000]
_cell_angle_beta [106.3434]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [Na2MgH20(SO9)2]
_chemical_formula_sum '[Na4 Mg2 H40 S4 O36]'
_cell_volume [809.6141]
_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  4  0.0190  0.7441  0.6033  1
  Mg  Mg1  2  0.5000  0.0000  0.5000  1
  H  H2  4  0.1132  0.1937  0.1756  1
  H  H3  4  0.1421  0.6132  0.9086  1
  H  H4  4  0.1664  0.0752  0.0745  1
  H  H5  4  0.1725  0.0218  0.5404  1
  H  H6  4  0.3032  0.5675  0.8138  1
  H  H7  4  0.3343  0.1713  0.3000  1
  H  H8  4  0.3627  0.5780  0.1566  1
  H  H9  4  0.3649  0.7196  0.5688  1
  H  H10  4  0.3996  0.1480  0.0478  1
  H  H11  4  0.4959  0.2071  0.1824  1
  S  S12  4  0.2243  0.5158  0.3314  1
  O  O13  4  0.0980  0.0931  0.1004  1
  O  O14  4  0.1099  0.5368  0.9718  1
  O  O15  4  0.1187  0.0974  0.7989  1
  O  O16  4  0.2023  0.7381  0.2966  1
  O  O17  4  0.2834  0.0034  0.9807  1
  O  O18  4  0.2936  0.0720  0.7473  1
  O  O19  4  0.3640  0.0335  0.3315  1
  O  O20  4  0.4106  0.6655  0.1170  1
  O  O21  4  0.4685  0.2280  0.0837  1
]