data_S5N2ClO6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.85
_cell_length_b   7.89
_cell_length_c   10.97
_cell_angle_alpha   91.5
_cell_angle_beta   100.57
_cell_angle_gamma   113.8
_symmetry_Int_Tables_number   1
_chemical_formula_structural   S5N2ClO6
_chemical_formula_sum   'S10 N4 Cl2 O12'
_cell_volume   530.08
_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
  S  S0  1  0.86  0.75  0.26  1.0
  S  S1  1  0.31  0.5  0.48  1.0
  S  S2  1  0.86  0.11  0.24  1.0
  S  S3  1  0.65  0.17  0.08  1.0
  S  S4  1  0.62  0.89  0.67  1.0
  S  S5  1  0.79  0.27  0.45  1.0
  S  S6  1  0.01  0.85  0.64  1.0
  S  S7  1  0.35  0.52  0.24  1.0
  S  S8  1  0.79  0.91  0.47  1.0
  S  S9  1  0.03  0.12  0.05  1.0
  N  N10  1  0.47  0.95  0.75  1.0
  N  N11  1  0.19  0.07  0.97  1.0
  N  N12  1  0.29  0.42  0.43  1.0
  N  N13  1  0.36  0.59  0.28  1.0
  Cl  Cl14  1  0.37  0.47  0.38  1.0
  Cl  Cl15  1  0.29  0.54  0.33  1.0
  O  O16  1  0.98  0.42  0.9  1.0
  O  O17  1  0.68  0.6  0.82  1.0
  O  O18  1  0.39  0.08  0.86  1.0
  O  O19  1  0.47  0.52  0.34  1.0
  O  O20  1  0.02  0.81  0.75  1.0
  O  O21  1  0.19  0.5  0.38  1.0
  O  O22  1  0.27  0.94  0.86  1.0
  O  O23  1  0.44  0.41  0.08  1.0
  O  O24  1  0.64  0.21  0.97  1.0
  O  O25  1  0.12  0.18  0.65  1.0
  O  O26  1  0.54  0.84  0.07  1.0
  O  O27  1  0.22  0.61  0.64  1.0

data_S5N2ClO6
_symmetry_space_group_name_H-M   P-1
_cell_length_a   6.85
_cell_length_b   7.89
_cell_length_c   10.97
_cell_angle_alpha   91.5
_cell_angle_beta   100.57
_cell_angle_gamma   113.8
_symmetry_Int_Tables_number   2
_chemical_formula_structural   S5N2ClO6
_chemical_formula_sum   'S10 N4 Cl2 O12'
_cell_volume   530.08
_cell_formula_units_Z   2
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  0.02  0.51  0.88  1.0
  S  S1  2  0.3  0.88  0.31  1.0
  S  S2  2  0.32  0.16  0.72  1.0
  S  S3  2  0.46  0.9  0.12  1.0
  S  S4  2  0.47  0.26  0.1  1.0
  N  N5  2  0.03  0.58  0.92  1.0
  N  N6  2  0.14  0.94  0.39  1.0
  Cl  Cl7  2  0.04  0.46  0.02  1.0
  O  O8  2  0.06  0.07  0.5  1.0
  O  O9  2  0.11  0.4  0.72  1.0
  O  O10  2  0.14  0.51  0.98  1.0
  O  O11  2  0.21  0.83  0.71  1.0
  O  O12  2  0.31  0.2  0.61  1.0
  O  O13  2  0.35  0.59  0.46  1.0

S S S S S S S S S S N N N N Cl Cl O O O O O O O O O O O O