data_SNClO4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   11.01
_cell_length_b   8.53
_cell_length_c   9.02
_cell_angle_alpha   90.0
_cell_angle_beta   107.91
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SNClO4
_chemical_formula_sum   'S4 N4 Cl4 O16'
_cell_volume   806.02
_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  S0  1  0.02  0.79  0.41  1.0
  S  S1  1  0.6  0.53  0.88  1.0
  S  S2  1  0.21  0.74  0.18  1.0
  S  S3  1  0.63  0.0  0.7  1.0
  N  N4  1  0.56  0.98  0.13  1.0
  N  N5  1  0.17  0.29  0.42  1.0
  N  N6  1  0.67  0.55  0.46  1.0
  N  N7  1  0.06  0.24  0.17  1.0
  Cl  Cl8  1  0.45  0.22  0.54  1.0
  Cl  Cl9  1  0.06  0.04  0.83  1.0
  Cl  Cl10  1  0.17  0.49  0.75  1.0
  Cl  Cl11  1  0.79  0.31  0.05  1.0
  O  O12  1  0.49  0.55  0.13  1.0
  O  O13  1  0.74  0.98  0.46  1.0
  O  O14  1  0.83  0.31  0.04  1.0
  O  O15  1  0.13  0.29  0.16  1.0
  O  O16  1  0.45  0.49  0.34  1.0
  O  O17  1  0.46  0.23  0.92  1.0
  O  O18  1  0.13  0.05  0.45  1.0
  O  O19  1  0.51  0.74  0.16  1.0
  O  O20  1  0.79  0.04  0.25  1.0
  O  O21  1  0.1  0.24  0.42  1.0
  O  O22  1  0.77  0.3  0.66  1.0
  O  O23  1  0.38  0.5  0.96  1.0
  O  O24  1  0.72  0.79  0.43  1.0
  O  O25  1  0.4  0.22  0.54  1.0
  O  O26  1  0.85  0.03  0.63  1.0
  O  O27  1  0.11  0.48  0.13  1.0

data_SNClO4
_symmetry_space_group_name_H-M   P-1
_cell_length_a   8.53
_cell_length_b   9.02
_cell_length_c   11.01
_cell_angle_alpha   107.91
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   2
_chemical_formula_structural   SNClO4
_chemical_formula_sum   'S4 N4 Cl4 O16'
_cell_volume   806.02
_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  0.26  0.59  0.48  1.0
  S  S1  2  0.47  0.88  0.09  1.0
  N  N2  2  0.02  0.13  0.06  1.0
  N  N3  2  0.29  0.17  0.56  1.0
  Cl  Cl4  2  0.04  0.75  0.67  1.0
  Cl  Cl5  2  0.22  0.46  0.06  1.0
  O  O6  2  0.02  0.87  0.01  1.0
  O  O7  2  0.03  0.37  0.66  1.0
  O  O8  2  0.04  0.75  0.72  1.0
  O  O9  2  0.21  0.84  0.99  1.0
  O  O10  2  0.22  0.04  0.33  1.0
  O  O11  2  0.23  0.66  0.27  1.0
  O  O12  2  0.29  0.84  0.37  1.0
  O  O13  2  0.48  0.87  0.4  1.0

S S S S N N N N Cl Cl Cl Cl O O O O O O O O O O O O O O O O
S S S S N N N N Cl Cl Cl Cl O O O O O O O O O O O O O O O O 0 18 o + o 1 23 o o o 1 17 o o o 1 12 o o + 1 14 o o + 1 11 o o + 2 27 o o o 3 25 o o o 3 8 o o o 3 13 o - o 3 26 o o o 3 22 o o o 4 19 o o o 4 20 o + o 4 17 o + - 5 21 o o o 6 16 o o o 6 24 o o o 6 22 o o o 7 15 o o o 8 25 o o o 9 26 - o o 10 23 o o o 11 14 o o o 12 23 o o - 12 19 o o o 12 16 o o o 13 24 o o o 13 26 o + o 13 20 o + o 15 27 o o o 17 23 o o o 18 21 o o o 22 26 o o o 