data_[H24S4N8O16]
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
  N  3.0400  0.6500  0.6300
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [P2_12_12_1]
_cell_length_a [5.6316]
_cell_length_b [7.6860]
_cell_length_c [9.3435]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [19]
_chemical_formula_structural [H6S(NO2)2]
_chemical_formula_sum '[H24 S4 N8 O16]'
_cell_volume [404.4298]
_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  0.0082  0.2220  0.9466  1
  H  H1  4  0.0584  0.3993  0.1504  1
  H  H2  4  0.0771  0.8627  0.9037  1
  H  H3  4  0.1599  0.2041  0.1976  1
  H  H4  4  0.1668  0.5693  0.4832  1
  H  H5  4  0.1911  0.6113  0.7448  1
  S  S6  4  0.2072  0.1187  0.5938  1
  N  N7  4  0.1653  0.6897  0.5300  1
  N  N8  4  0.2114  0.3273  0.1636  1
  O  O9  4  0.0153  0.5260  0.8820  1
  O  O10  4  0.0874  0.9640  0.1607  1
  O  O11  4  0.1848  0.3044  0.6321  1
  O  O12  4  0.2491  0.1062  0.4269  1
]