data_[S4O20]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  S  2.5800  1.0000  0.8800
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [P2_12_12_1]
_cell_length_a [6.6839]
_cell_length_b [6.8906]
_cell_length_c [8.5553]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [19]
_chemical_formula_structural [SO5]
_chemical_formula_sum '[S4 O20]'
_cell_volume [394.0237]
_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
[
  S  S0  4  0.2229  0.0854  0.5626  1
  O  O1  4  0.0357  0.9711  0.5698  1
  O  O2  4  0.1002  0.0424  0.0548  1
  O  O3  4  0.2179  0.2179  0.4279  1
  O  O4  4  0.2377  0.1978  0.7163  1
  O  O5  4  0.2445  0.4832  0.6646  1
]