data_[H12S8]
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
]
_symmetry_space_group_name_H-M [P1]
_cell_length_a [6.2267]
_cell_length_b [6.9027]
_cell_length_c [7.3868]
_cell_angle_alpha [99.0580]
_cell_angle_beta [109.1735]
_cell_angle_gamma [113.0846]
_symmetry_Int_Tables_number [1]
_chemical_formula_structural [H3S2]
_chemical_formula_sum '[H12 S8]'
_cell_volume [260.4713]
_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  1  0.2121  0.7590  0.9784  1
  H  H1  1  0.2523  0.2797  0.4181  1
  H  H2  1  0.3449  0.4539  0.0287  1
  H  H3  1  0.3955  0.7767  0.5721  1
  H  H4  1  0.4073  0.9637  0.8138  1
  H  H5  1  0.5128  0.6245  0.8792  1
  H  H6  1  0.6494  0.2773  0.1028  1
  H  H7  1  0.8062  0.4431  0.9443  1
  H  H8  1  0.8212  0.7919  0.2763  1
  H  H9  1  0.8223  0.9665  0.5168  1
  H  H10  1  0.9253  0.6275  0.5714  1
  H  H11  1  0.9492  0.1305  0.0115  1
  S  S12  1  0.2585  0.9595  0.0951  1
  S  S13  1  0.2809  0.4437  0.8308  1
  S  S14  1  0.3438  0.9495  0.6155  1
  S  S15  1  0.4290  0.4637  0.4014  1
  S  S16  1  0.7514  0.4330  0.5778  1
  S  S17  1  0.7856  0.9730  0.3259  1
  S  S18  1  0.8815  0.4524  0.1429  1
  S  S19  1  0.9084  0.9335  0.8926  1
]