data_[S32Cl32]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  S  2.5800  1.0000  0.8800
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [Fdd2]
_cell_length_a [18.9707]
_cell_length_b [23.2035]
_cell_length_c [5.2030]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [43]
_chemical_formula_structural [SCl]
_chemical_formula_sum '[S32 Cl32]'
_cell_volume [2290.2991]
_cell_formula_units_Z [32]
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  16  0.0052  0.1563  0.0404  1.0
  S  S1  16  0.0761  0.3171  0.7282  1.0
  Cl  Cl2  16  0.0241  0.4103  0.2861  1.0
  Cl  Cl3  16  0.1198  0.0043  0.2628  1.0
]