data_SCl2O
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.88
_cell_length_b   5.85
_cell_length_c   7.63
_cell_angle_alpha   90.0
_cell_angle_beta   100.67
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SCl2O
_chemical_formula_sum   'S4 Cl8 O4'
_cell_volume   389.44
_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
  S  S12  1  0.07  0.37  0.82  1.0
  S  S13  1  0.1  0.29  0.93  1.0
  S  S14  1  0.36  0.56  0.56  1.0
  S  S15  1  0.4  0.49  0.68  1.0
  Cl  Cl0  1  0.51  0.54  0.66  1.0
  Cl  Cl1  1  0.01  0.14  0.77  1.0
  Cl  Cl2  1  0.16  0.21  0.98  1.0
  Cl  Cl3  1  0.66  0.62  0.08  1.0
  Cl  Cl4  1  0.81  0.24  0.41  1.0
  Cl  Cl5  1  0.31  0.64  0.52  1.0
  Cl  Cl6  1  0.45  0.71  0.73  1.0
  Cl  Cl7  1  0.95  0.31  0.83  1.0
  O  O8  1  0.87  0.23  0.97  1.0
  O  O9  1  0.3  0.16  0.78  1.0
  O  O10  1  0.16  0.69  0.72  1.0
  O  O11  1  0.6  0.62  0.53  1.0

data_SCl2O
_symmetry_space_group_name_H-M   P-1
_cell_length_a   5.85
_cell_length_b   7.63
_cell_length_c   8.88
_cell_angle_alpha   100.67
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   2
_chemical_formula_structural   SCl2O
_chemical_formula_sum   'S4 Cl8 O4'
_cell_volume   389.44
_cell_formula_units_Z   4
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '-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  2  0.06  0.43  0.16  1.0
  S  S1  2  0.13  0.32  0.13  1.0
  Cl  Cl2  2  0.12  0.42  0.28  1.0
  Cl  Cl3  2  0.19  0.84  0.43  1.0
  Cl  Cl4  2  0.21  0.27  0.07  1.0
  Cl  Cl5  2  0.29  0.48  0.22  1.0
  O  O6  2  0.19  0.28  0.36  1.0
  O  O7  2  0.27  0.47  0.93  1.0

S S S S Cl Cl Cl Cl Cl Cl Cl Cl O O O O
S S S S Cl Cl Cl Cl Cl Cl Cl Cl O O O O 0 11 - o o 0 1 o o o 0 5 o o o 0 8 - o o 0 13 o o o 0 14 o o o 1 6 o o o 1 13 o o o 2 9 o o o 2 3 o o o 2 14 o o o 3 4 o o o 3 7 o o + 3 10 o o o 3 13 o o o 3 14 o o o 4 10 o o o 4 7 o o + 4 15 o o o 5 11 - o o 5 8 - o o 5 13 o o o 6 13 o o o 7 10 o o - 7 15 o o o 7 12 o o - 7 8 o o o 8 15 o o o 8 12 o o - 8 11 o o o 9 14 o o o 10 14 o o o 11 12 o o o 