data_[Rb8H40C56S8O40]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Rb  0.8200  2.3500  1.6600
  H  2.2000  0.2500  0.0000
  C  2.5500  0.7000  0.3000
  S  2.5800  1.0000  0.8800
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [Pbca]
_cell_length_a [7.2360]
_cell_length_b [25.9331]
_cell_length_c [10.5390]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [61]
_chemical_formula_structural [RbH5C7SO5]
_chemical_formula_sum '[Rb8 H40 C56 S8 O40]'
_cell_volume [1977.6602]
_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
[
  Rb  Rb0  8  0.1874  0.0273  0.3773  1
  H  H1  8  0.0121  0.1110  0.8289  1
  H  H2  8  0.0882  0.2318  0.9346  1
  H  H3  8  0.1214  0.2077  0.6146  1
  H  H4  8  0.1305  0.7475  0.2425  1
  H  H5  8  0.1889  0.1661  0.2361  1
  C  C6  8  0.0081  0.2326  0.4358  1
  C  C7  8  0.0256  0.6145  0.8532  1
  C  C8  8  0.0266  0.1984  0.5376  1
  C  C9  8  0.0720  0.6518  0.9582  1
  C  C10  8  0.1135  0.7209  0.1630  1
  C  C11  8  0.1943  0.6405  0.0589  1
  C  C12  8  0.2147  0.6751  0.1598  1
  S  S13  8  0.1659  0.0828  0.0637  1
  O  O14  8  0.0148  0.0932  0.1525  1
  O  O15  8  0.0275  0.0702  0.6265  1
  O  O16  8  0.0379  0.6358  0.7383  1
  O  O17  8  0.0997  0.0739  0.9323  1
  O  O18  8  0.2138  0.5405  0.1055  1
]