data_[Sr8H80S16O64]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sr  0.9500  2.0000  1.3200
  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 [C2/c]
_cell_length_a [19.9488]
_cell_length_b [7.8952]
_cell_length_c [10.3017]
_cell_angle_alpha [90.0000]
_cell_angle_beta [106.1652]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [SrH10(SO4)2]
_chemical_formula_sum '[Sr8 H80 S16 O64]'
_cell_volume [1558.3580]
_cell_formula_units_Z [8]
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
[
  Sr  Sr0  8  0.2209  0.3273  0.6877  1
  H  H1  8  0.0004  0.4066  0.1281  1
  H  H2  8  0.0084  0.3982  0.6126  1
  H  H3  8  0.0595  0.1523  0.2267  1
  H  H4  8  0.0620  0.1762  0.0750  1
  H  H5  8  0.0710  0.1741  0.5508  1
  H  H6  8  0.0749  0.1876  0.7052  1
  H  H7  8  0.1032  0.4787  0.9580  1
  H  H8  8  0.1364  0.3488  0.2245  1
  H  H9  8  0.1720  0.3615  0.0150  1
  H  H10  8  0.1735  0.4407  0.3642  1
  S  S11  8  0.0650  0.0418  0.8884  1
  S  S12  8  0.1699  0.0354  0.9472  1
  O  O13  8  0.0267  0.4867  0.8879  1
  O  O14  8  0.0611  0.2394  0.1580  1
  O  O15  8  0.0810  0.2543  0.6277  1
  O  O16  8  0.1567  0.4798  0.9927  1
  O  O17  8  0.1813  0.4021  0.2758  1
  O  O18  8  0.1934  0.1399  0.4835  1
  O  O19  8  0.1952  0.0861  0.8303  1
  O  O20  8  0.1957  0.1514  0.0634  1
]