data_[S8Cl8]
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 [P4/m]
_cell_length_a [12.5296]
_cell_length_b [12.5296]
_cell_length_c [2.9574]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [83]
_chemical_formula_structural [SCl]
_chemical_formula_sum '[S8 Cl8]'
_cell_volume [464.2817]
_cell_formula_units_Z [8]
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  0.0817  0.7056  0.0000  1
  S  S1  4  0.1759  0.5202  0.5000  1
  Cl  Cl2  4  0.0610  0.2253  0.0000  1
  Cl  Cl3  4  0.2979  0.4178  0.5000  1
]