data_SnH8C4(SBr2)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.8
_cell_length_b   12.07
_cell_length_c   8.12
_cell_angle_alpha   90.0
_cell_angle_beta   116.28
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SnH8C4(SBr2)2
_chemical_formula_sum   'Sn2 H16 C8 S4 Br8'
_cell_volume   597.57
_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
  Sn  Sn0  1  0.2  0.04  0.64  1.0
  Sn  Sn1  1  0.0  0.0  0.0  1.0
  H  H2  1  0.25  0.24  0.9  1.0
  H  H3  1  0.15  0.28  0.02  1.0
  H  H4  1  0.95  0.83  0.38  1.0
  H  H5  1  0.05  0.79  0.26  1.0
  H  H6  1  0.47  0.01  0.09  1.0
  H  H7  1  0.94  0.05  0.83  1.0
  H  H8  1  0.74  0.06  0.19  1.0
  H  H9  1  0.26  0.03  0.45  1.0
  H  H10  1  0.29  0.86  0.93  1.0
  H  H11  1  0.71  0.9  0.71  1.0
  H  H12  1  0.91  0.21  0.35  1.0
  H  H13  1  0.49  0.17  0.57  1.0
  H  H14  1  0.81  0.3  0.11  1.0
  H  H15  1  0.19  0.34  0.53  1.0
  H  H16  1  0.4  0.77  0.17  1.0
  H  H17  1  0.01  0.74  0.75  1.0
  C  C18  1  0.73  0.19  0.09  1.0
  C  C19  1  0.67  0.23  0.83  1.0
  C  C20  1  0.47  0.88  0.19  1.0
  C  C21  1  0.53  0.85  0.45  1.0
  C  C22  1  0.58  0.09  0.13  1.0
  C  C23  1  0.42  0.12  0.51  1.0
  C  C24  1  0.63  0.99  0.15  1.0
  C  C25  1  0.78  0.95  0.77  1.0
  S  S26  1  0.39  0.41  0.69  1.0
  S  S27  1  0.02  0.44  0.23  1.0
  S  S28  1  0.82  0.67  0.59  1.0
  S  S29  1  0.18  0.63  0.05  1.0
  Br  Br30  1  0.1  0.56  0.68  1.0
  Br  Br31  1  0.9  0.52  0.96  1.0
  Br  Br32  1  0.1  0.51  0.6  1.0
  Br  Br33  1  0.31  0.55  0.32  1.0
  Br  Br34  1  0.03  0.0  0.34  1.0
  Br  Br35  1  0.97  0.04  0.3  1.0
  Br  Br36  1  0.17  0.07  0.94  1.0
  Br  Br37  1  0.23  0.03  0.98  1.0

data_SnH8C4(SBr2)2
_symmetry_space_group_name_H-M   P1
_cell_length_a   6.8
_cell_length_b   7.95
_cell_length_c   12.07
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   113.75
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SnH8C4(SBr2)2
_chemical_formula_sum   'Sn2 H16 C8 S4 Br8'
_cell_volume   597.57
_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
  Sn  Sn0  1  0.0  0.0  0.0  1.0
  Sn  Sn1  1  0.44  0.64  0.04  1.0
  H  H2  1  0.08  0.57  0.17  1.0
  H  H3  1  0.18  0.45  0.03  1.0
  H  H4  1  0.21  0.26  0.79  1.0
  H  H5  1  0.3  0.11  0.3  1.0
  H  H6  1  0.34  0.53  0.34  1.0
  H  H7  1  0.43  0.38  0.83  1.0
  H  H8  1  0.44  0.35  0.21  1.0
  H  H9  1  0.46  0.19  0.06  1.0
  H  H10  1  0.62  0.09  0.01  1.0
  H  H11  1  0.64  0.93  0.86  1.0
  H  H12  1  0.64  0.9  0.24  1.0
  H  H13  1  0.74  0.75  0.74  1.0
  H  H14  1  0.78  0.17  0.77  1.0
  H  H15  1  0.87  0.02  0.28  1.0
  H  H16  1  0.89  0.83  0.05  1.0
  H  H17  1  1.0  0.71  0.9  1.0
  C  C18  1  0.09  0.51  0.12  1.0
  C  C19  1  0.16  0.83  0.23  1.0
  C  C20  1  0.36  0.09  0.19  1.0
  C  C21  1  0.53  0.15  0.99  1.0
  C  C22  1  0.55  0.13  0.09  1.0
  C  C23  1  0.72  0.19  0.88  1.0
  C  C24  1  0.92  0.45  0.85  1.0
  C  C25  1  0.99  0.77  0.95  1.0
  S  S26  1  0.21  0.23  0.44  1.0
  S  S27  1  0.31  0.69  0.41  1.0
  S  S28  1  0.77  0.59  0.67  1.0
  S  S29  1  0.87  0.05  0.63  1.0
  Br  Br30  1  0.02  0.32  0.55  1.0
  Br  Br31  1  0.06  0.96  0.52  1.0
  Br  Br32  1  0.31  0.34  0.0  1.0
  Br  Br33  1  0.33  0.3  0.04  1.0
  Br  Br34  1  0.5  0.6  0.51  1.0
  Br  Br35  1  0.58  0.68  0.56  1.0
  Br  Br36  1  0.75  0.98  0.03  1.0
  Br  Br37  1  0.77  0.94  0.07  1.0

Sn Sn H H H H H H H H H H H H H H H H C C C C C C C C S S S S Br Br Br Br Br Br Br Br