data_SnH4S6(NCl)6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.36
_cell_length_b   13.29
_cell_length_c   11.93
_cell_angle_alpha   90.0
_cell_angle_beta   122.13
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SnH4S6(NCl)6
_chemical_formula_sum   'Sn2 H8 S12 N12 Cl12'
_cell_volume   988.86
_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  0.83  0.65  0.05  1.0
  Sn  Sn1  1  0.0  0.0  0.0  1.0
  H  H2  1  0.64  0.62  0.47  1.0
  H  H3  1  0.81  0.02  0.41  1.0
  H  H4  1  0.38  0.67  0.64  1.0
  H  H5  1  0.21  0.27  0.69  1.0
  H  H6  1  0.73  0.95  0.3  1.0
  H  H7  1  0.9  0.69  0.25  1.0
  H  H8  1  0.29  0.34  0.8  1.0
  H  H9  1  0.12  0.6  0.85  1.0
  S  S10  1  0.11  0.56  0.93  1.0
  S  S11  1  0.29  0.09  0.88  1.0
  S  S12  1  0.91  0.73  0.17  1.0
  S  S13  1  0.73  0.2  0.22  1.0
  S  S14  1  0.21  0.58  0.3  1.0
  S  S15  1  0.38  0.06  0.24  1.0
  S  S16  1  0.81  0.71  0.81  1.0
  S  S17  1  0.64  0.23  0.86  1.0
  S  S18  1  0.44  0.31  0.68  1.0
  S  S19  1  0.27  0.34  0.73  1.0
  S  S20  1  0.58  0.98  0.43  1.0
  S  S21  1  0.75  0.95  0.37  1.0
  N  N22  1  0.84  0.36  0.63  1.0
  N  N23  1  0.67  0.29  0.69  1.0
  N  N24  1  0.18  0.93  0.47  1.0
  N  N25  1  0.35  0.0  0.42  1.0
  N  N26  1  0.87  0.88  0.17  1.0
  N  N27  1  0.69  0.76  0.22  1.0
  N  N28  1  0.15  0.41  0.93  1.0
  N  N29  1  0.33  0.53  0.88  1.0
  N  N30  1  0.82  0.61  0.27  1.0
  N  N31  1  0.99  0.04  0.21  1.0
  N  N32  1  0.2  0.68  0.84  1.0
  N  N33  1  0.03  0.26  0.89  1.0
  Cl  Cl34  1  0.92  0.04  0.22  1.0
  Cl  Cl35  1  0.09  0.61  0.17  1.0
  Cl  Cl36  1  0.1  0.25  0.89  1.0
  Cl  Cl37  1  0.93  0.68  0.94  1.0
  Cl  Cl38  1  0.04  0.45  0.02  1.0
  Cl  Cl39  1  0.87  0.2  0.07  1.0
  Cl  Cl40  1  0.98  0.84  0.08  1.0
  Cl  Cl41  1  0.15  0.09  0.03  1.0
  Cl  Cl42  1  0.72  0.68  0.79  1.0
  Cl  Cl43  1  0.54  0.97  0.85  1.0
  Cl  Cl44  1  0.3  0.61  0.31  1.0
  Cl  Cl45  1  0.48  0.32  0.26  1.0

data_SnH4S6(NCl)6
_symmetry_space_group_name_H-M   P1
_cell_length_a   7.36
_cell_length_b   10.16
_cell_length_c   13.29
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   95.76
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SnH4S6(NCl)6
_chemical_formula_sum   'Sn2 H8 S12 N12 Cl12'
_cell_volume   988.86
_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  0.22  0.05  0.65  1.0
  H  H2  1  0.26  0.64  0.67  1.0
  H  H3  1  0.35  0.25  0.69  1.0
  H  H4  1  0.48  0.69  0.27  1.0
  H  H5  1  0.51  0.8  0.34  1.0
  H  H6  1  0.58  0.3  0.95  1.0
  H  H7  1  0.6  0.41  0.02  1.0
  H  H8  1  0.73  0.85  0.6  1.0
  H  H9  1  0.83  0.47  0.62  1.0
  S  S10  1  0.08  0.3  0.58  1.0
  S  S11  1  0.22  0.86  0.23  1.0
  S  S12  1  0.23  0.68  0.31  1.0
  S  S13  1  0.26  0.17  0.73  1.0
  S  S14  1  0.46  0.73  0.34  1.0
  S  S15  1  0.49  0.22  0.2  1.0
  S  S16  1  0.6  0.88  0.09  1.0
  S  S17  1  0.63  0.37  0.95  1.0
  S  S18  1  0.82  0.93  0.56  1.0
  S  S19  1  0.85  0.43  0.98  1.0
  S  S20  1  0.86  0.24  0.06  1.0
  S  S21  1  1.0  0.81  0.71  1.0
  N  N22  1  0.02  0.69  0.29  1.0
  N  N23  1  0.07  0.42  0.0  1.0
  N  N24  1  0.22  0.21  0.04  1.0
  N  N25  1  0.29  0.47  0.93  1.0
  N  N26  1  0.3  0.17  0.88  1.0
  N  N27  1  0.44  0.27  0.61  1.0
  N  N28  1  0.53  0.22  0.76  1.0
  N  N29  1  0.56  0.88  0.53  1.0
  N  N30  1  0.64  0.84  0.68  1.0
  N  N31  1  0.78  0.93  0.41  1.0
  N  N32  1  0.79  0.63  0.36  1.0
  N  N33  1  0.86  0.89  0.26  1.0
  Cl  Cl34  1  0.0  0.31  0.61  1.0
  Cl  Cl35  1  0.01  0.94  0.68  1.0
  Cl  Cl36  1  0.07  0.17  0.61  1.0
  Cl  Cl37  1  0.08  0.79  0.68  1.0
  Cl  Cl38  1  0.11  0.08  0.84  1.0
  Cl  Cl39  1  0.2  0.07  0.2  1.0
  Cl  Cl40  1  0.3  0.22  0.04  1.0
  Cl  Cl41  1  0.3  0.85  0.97  1.0
  Cl  Cl42  1  0.78  0.26  0.32  1.0
  Cl  Cl43  1  0.79  0.89  0.25  1.0
  Cl  Cl44  1  0.88  0.03  0.09  1.0
  Cl  Cl45  1  0.98  0.02  0.45  1.0

Sn Sn H H H H H H H H S S S S S S S S S S S S N N N N N N N N N N N N Cl Cl Cl Cl Cl Cl Cl Cl Cl Cl Cl Cl