data_[Al4H4S4O20]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Al  1.6100  1.2500  0.6750
  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 [7.1572]
_cell_length_b [7.2549]
_cell_length_c [7.0754]
_cell_angle_alpha [90.0000]
_cell_angle_beta [118.9977]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [AlHSO5]
_chemical_formula_sum '[Al4 H4 S4 O20]'
_cell_volume [321.3344]
_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
[
  Al  Al0  4  0.0000  0.5000  0.0000  1.0
  H  H1  4  0.0000  0.2806  0.7500  1.0
  S  S2  4  0.0000  0.1309  0.2500  1.0
  O  O3  8  0.0095  0.2490  0.0834  1.0
  O  O4  8  0.1873  0.0080  0.3495  1.0
  O  O5  4  0.0000  0.4152  0.7500  1.0
]