data_[H4S4O16]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  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 [4.5520]
_cell_length_b [18.1073]
_cell_length_c [4.9234]
_cell_angle_alpha [90.0000]
_cell_angle_beta [112.9292]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [HSO4]
_chemical_formula_sum '[H4 S4 O16]'
_cell_volume [373.7434]
_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
[
  H  H0  4  0.0000  0.1701  0.2500  1
  S  S1  4  0.0000  0.3722  0.7500  1
  O  O2  8  0.1752  0.4234  0.9938  1
  O  O3  8  0.2167  0.3216  0.6753  1
]