data_[H8S2Cl2]
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
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [Pm]
_cell_length_a [4.8062]
_cell_length_b [11.0348]
_cell_length_c [5.2647]
_cell_angle_alpha [90.0000]
_cell_angle_beta [98.2395]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [6]
_chemical_formula_structural [H4SCl]
_chemical_formula_sum '[H8 S2 Cl2]'
_cell_volume [276.3360]
_cell_formula_units_Z [2]
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  2  0.0044  0.4659  0.9813  1
  H  H1  2  0.1904  0.1626  0.2079  1
  H  H2  1  0.5077  0.5000  0.2113  1
  H  H3  1  0.6325  0.0000  0.6654  1
  H  H4  1  0.6728  0.0000  0.3008  1
  H  H5  1  0.8100  0.5000  0.4986  1
  S  S6  1  0.4577  0.0000  0.4402  1
  S  S7  1  0.5268  0.5000  0.4691  1
  Cl  Cl8  2  0.0014  0.1955  0.0180  1
]