data_Sb2H3C3SCl6O5F3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.09
_cell_length_b   9.98
_cell_length_c   14.43
_cell_angle_alpha   90.37
_cell_angle_beta   90.04
_cell_angle_gamma   105.34
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sb2H3C3SCl6O5F3
_chemical_formula_sum   'Sb4 H6 C6 S2 Cl12 O10 F6'
_cell_volume   985.51
_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
  Sb  Sb0  1  0.94  0.54  0.46  1.0
  Sb  Sb1  1  0.5  0.96  0.24  1.0
  Sb  Sb2  1  0.51  0.98  0.98  1.0
  Sb  Sb3  1  0.95  0.56  0.19  1.0
  H  H4  1  0.63  0.42  0.85  1.0
  H  H5  1  0.82  0.1  0.59  1.0
  H  H6  1  0.96  0.56  0.01  1.0
  H  H7  1  0.48  0.96  0.42  1.0
  H  H8  1  0.33  0.38  0.83  1.0
  H  H9  1  0.11  0.15  0.61  1.0
  C  C10  1  0.05  0.79  0.82  1.0
  C  C11  1  0.39  0.73  0.61  1.0
  C  C12  1  0.66  0.98  0.61  1.0
  C  C13  1  0.79  0.55  0.83  1.0
  C  C14  1  0.4  0.75  0.04  1.0
  C  C15  1  0.04  0.78  0.39  1.0
  S  S16  1  0.24  0.29  0.82  1.0
  S  S17  1  0.21  0.23  0.61  1.0
  Cl  Cl18  1  0.23  0.75  0.77  1.0
  Cl  Cl19  1  0.21  0.75  0.55  1.0
  Cl  Cl20  1  0.22  0.77  0.66  1.0
  Cl  Cl21  1  0.23  0.77  0.88  1.0
  Cl  Cl22  1  0.36  0.52  0.84  1.0
  Cl  Cl23  1  0.07  0.97  0.63  1.0
  Cl  Cl24  1  0.09  0.01  0.6  1.0
  Cl  Cl25  1  0.37  0.55  0.8  1.0
  Cl  Cl26  1  0.68  0.63  0.02  1.0
  Cl  Cl27  1  0.73  0.85  0.77  1.0
  Cl  Cl28  1  0.77  0.9  0.41  1.0
  Cl  Cl29  1  0.71  0.67  0.66  1.0
  O  O30  1  0.88  0.2  0.82  1.0
  O  O31  1  0.56  0.32  0.62  1.0
  O  O32  1  0.27  0.1  0.86  1.0
  O  O33  1  0.17  0.43  0.58  1.0
  O  O34  1  0.77  0.49  0.06  1.0
  O  O35  1  0.67  0.02  0.85  1.0
  O  O36  1  0.68  0.03  0.37  1.0
  O  O37  1  0.78  0.5  0.58  1.0
  O  O38  1  0.47  0.08  0.82  1.0
  O  O39  1  0.97  0.44  0.61  1.0
  F  F40  1  0.3  0.05  0.92  1.0
  F  F41  1  0.14  0.47  0.71  1.0
  F  F42  1  0.14  0.47  0.51  1.0
  F  F43  1  0.31  0.06  0.72  1.0
  F  F44  1  0.39  0.26  0.83  1.0
  F  F45  1  0.06  0.27  0.61  1.0

data_Sb2H3C3SCl6O5F3
_symmetry_space_group_name_H-M   P-1
_cell_length_a   7.09
_cell_length_b   9.98
_cell_length_c   14.43
_cell_angle_alpha   90.37
_cell_angle_beta   90.04
_cell_angle_gamma   105.34
_symmetry_Int_Tables_number   2
_chemical_formula_structural   Sb2H3C3SCl6O5F3
_chemical_formula_sum   'Sb4 H6 C6 S2 Cl12 O10 F6'
_cell_volume   985.51
_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
  Sb  Sb0  2  0.28  0.7  0.03  1.0
  Sb  Sb1  2  0.29  0.72  0.76  1.0
  H  H2  2  0.11  0.12  0.61  1.0
  H  H3  2  0.26  0.7  0.21  1.0
  H  H4  2  0.4  0.16  0.63  1.0
  C  C5  2  0.17  0.47  0.39  1.0
  C  C6  2  0.18  0.49  0.83  1.0
  C  C7  2  0.44  0.72  0.39  1.0
  S  S8  2  0.01  0.03  0.6  1.0
  Cl  Cl9  2  0.0  0.49  0.55  1.0
  Cl  Cl10  2  0.01  0.51  0.67  1.0
  Cl  Cl11  2  0.14  0.25  0.62  1.0
  Cl  Cl12  2  0.15  0.29  0.58  1.0
  Cl  Cl13  2  0.46  0.37  0.8  1.0
  Cl  Cl14  2  0.49  0.41  0.44  1.0
  O  O15  2  0.05  0.83  0.64  1.0
  O  O16  2  0.25  0.82  0.6  1.0
  O  O17  2  0.34  0.06  0.4  1.0
  O  O18  2  0.45  0.76  0.64  1.0
  O  O19  2  0.45  0.77  0.15  1.0
  F  F20  2  0.08  0.79  0.7  1.0
  F  F21  2  0.09  0.79  0.5  1.0
  F  F22  2  0.17  0.99  0.61  1.0

Sb Sb Sb Sb H H H H H H C C C C C C S S Cl Cl Cl Cl Cl Cl Cl Cl Cl Cl Cl Cl O O O O O O O O O O F F F F F F