data_SbS2NCl8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.8
_cell_length_b   11.72
_cell_length_c   16.63
_cell_angle_alpha   90.0
_cell_angle_beta   98.38
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SbS2NCl8
_chemical_formula_sum   'Sb4 S8 N4 Cl32'
_cell_volume   1502.74
_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
  Sb  Sb0  1  0.86  0.38  0.94  1.0
  Sb  Sb1  1  0.08  0.2  0.71  1.0
  Sb  Sb2  1  0.51  0.34  0.52  1.0
  Sb  Sb3  1  0.29  0.52  0.75  1.0
  S  S4  1  0.85  0.45  0.16  1.0
  S  S5  1  0.52  0.27  0.29  1.0
  S  S6  1  0.14  0.53  0.03  1.0
  S  S7  1  0.31  0.59  0.52  1.0
  S  S8  1  0.06  0.13  0.93  1.0
  S  S9  1  0.23  0.19  0.42  1.0
  S  S10  1  0.35  0.33  0.81  1.0
  S  S11  1  0.02  0.39  0.65  1.0
  N  N12  1  0.55  0.56  0.46  1.0
  N  N13  1  0.82  0.15  1.0  1.0
  N  N14  1  0.61  0.42  0.22  1.0
  N  N15  1  0.76  0.3  0.23  1.0
  Cl  Cl16  1  0.41  0.91  0.3  1.0
  Cl  Cl17  1  0.77  0.94  0.07  1.0
  Cl  Cl18  1  0.77  0.27  0.14  1.0
  Cl  Cl19  1  0.2  0.67  0.53  1.0
  Cl  Cl20  1  0.03  0.08  0.17  1.0
  Cl  Cl21  1  0.55  0.58  0.37  1.0
  Cl  Cl22  1  0.57  0.38  0.38  1.0
  Cl  Cl23  1  0.82  0.69  0.06  1.0
  Cl  Cl24  1  0.96  0.81  0.15  1.0
  Cl  Cl25  1  0.96  0.52  0.41  1.0
  Cl  Cl26  1  0.13  0.94  0.51  1.0
  Cl  Cl27  1  0.24  0.77  0.94  1.0
  Cl  Cl28  1  0.82  0.13  0.08  1.0
  Cl  Cl29  1  0.8  0.34  0.07  1.0
  Cl  Cl30  1  0.77  0.54  0.17  1.0
  Cl  Cl31  1  0.17  0.92  0.03  1.0
  Cl  Cl32  1  0.41  0.06  0.2  1.0
  Cl  Cl33  1  0.2  0.79  0.43  1.0
  Cl  Cl34  1  0.34  0.63  0.29  1.0
  Cl  Cl35  1  0.61  0.44  0.31  1.0
  Cl  Cl36  1  0.17  0.05  0.93  1.0
  Cl  Cl37  1  0.6  0.77  0.39  1.0
  Cl  Cl38  1  0.6  0.17  0.29  1.0
  Cl  Cl39  1  0.78  0.48  0.16  1.0
  Cl  Cl40  1  0.56  0.91  0.3  1.0
  Cl  Cl41  1  0.59  0.24  0.3  1.0
  Cl  Cl42  1  0.56  0.03  0.4  1.0
  Cl  Cl43  1  0.62  0.67  0.82  1.0
  Cl  Cl44  1  0.81  0.8  0.16  1.0
  Cl  Cl45  1  0.75  0.05  0.63  1.0
  Cl  Cl46  1  0.41  0.19  0.05  1.0
  Cl  Cl47  1  0.96  0.65  0.26  1.0

data_SbS2NCl8
_symmetry_space_group_name_H-M   P-1
_cell_length_a   7.8
_cell_length_b   11.72
_cell_length_c   16.63
_cell_angle_alpha   90.0
_cell_angle_beta   98.38
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   2
_chemical_formula_structural   SbS2NCl8
_chemical_formula_sum   'Sb4 S8 N4 Cl32'
_cell_volume   1502.74
_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
  Sb  Sb0  2  0.11  0.16  0.52  1.0
  Sb  Sb1  2  0.32  0.98  0.29  1.0
  S  S2  2  0.05  0.83  0.19  1.0
  S  S3  2  0.12  0.23  0.29  1.0
  S  S4  2  0.17  0.97  0.58  1.0
  S  S5  2  0.33  0.91  0.07  1.0
  N  N6  2  0.37  0.2  0.23  1.0
  N  N7  2  0.42  0.06  1.0  1.0
  Cl  Cl8  2  0.01  0.31  0.3  1.0
  Cl  Cl9  2  0.02  0.44  0.2  1.0
  Cl  Cl10  2  0.05  0.42  0.71  1.0
  Cl  Cl11  2  0.16  0.27  0.06  1.0
  Cl  Cl12  2  0.22  0.83  0.82  1.0
  Cl  Cl13  2  0.22  0.55  0.07  1.0
  Cl  Cl14  2  0.23  0.71  0.97  1.0
  Cl  Cl15  2  0.37  0.23  0.14  1.0
  Cl  Cl16  2  0.37  0.67  0.17  1.0
  Cl  Cl17  2  0.37  0.56  0.07  1.0
  Cl  Cl18  2  0.38  0.02  0.16  1.0
  Cl  Cl19  2  0.4  0.88  0.07  1.0
  Cl  Cl20  2  0.42  0.41  0.16  1.0
  Cl  Cl21  2  0.42  0.81  0.06  1.0
  Cl  Cl22  2  0.42  0.08  0.08  1.0
  Cl  Cl23  2  0.43  0.31  0.59  1.0

Sb Sb Sb Sb S S S S S S S S N N N N Cl Cl Cl Cl Cl Cl Cl Cl Cl Cl Cl Cl Cl Cl Cl Cl Cl Cl Cl Cl Cl Cl Cl Cl Cl Cl Cl Cl Cl Cl Cl Cl