data_S
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.04
_cell_length_b   13.1
_cell_length_c   13.11
_cell_angle_alpha   119.53
_cell_angle_beta   90.04
_cell_angle_gamma   90.29
_symmetry_Int_Tables_number   1
_chemical_formula_structural   S
_chemical_formula_sum   S18
_cell_volume   753.67
_cell_formula_units_Z   18
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  0.12  0.41  0.46  1.0
  S  S1  1  0.13  0.21  0.88  1.0
  S  S2  1  0.13  0.08  0.07  1.0
  S  S3  1  0.14  0.21  0.48  1.0
  S  S4  1  0.16  0.42  0.43  1.0
  S  S5  1  0.17  0.08  0.51  1.0
  S  S6  1  0.53  0.68  0.8  1.0
  S  S7  1  0.54  0.25  0.62  1.0
  S  S8  1  0.48  0.24  0.38  1.0
  S  S9  1  0.8  0.27  0.77  1.0
  S  S10  1  0.76  0.56  0.81  1.0
  S  S11  1  0.64  0.45  0.15  1.0
  S  S12  1  0.11  0.6  0.11  1.0
  S  S13  1  0.02  0.75  0.97  1.0
  S  S14  1  0.04  0.77  0.86  1.0
  S  S15  1  0.25  0.66  0.11  1.0
  S  S16  1  0.23  0.92  0.8  1.0
  S  S17  1  0.24  0.12  0.5  1.0

data_S
_symmetry_space_group_name_H-M   P1
_cell_length_a   5.04
_cell_length_b   13.1
_cell_length_c   13.11
_cell_angle_alpha   119.53
_cell_angle_beta   90.04
_cell_angle_gamma   90.29
_symmetry_Int_Tables_number   1
_chemical_formula_structural   S
_chemical_formula_sum   S18
_cell_volume   753.67
_cell_formula_units_Z   18
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  0.02  0.75  0.97  1.0
  S  S1  1  0.04  0.77  0.86  1.0
  S  S2  1  0.11  0.6  0.11  1.0
  S  S3  1  0.12  0.41  0.46  1.0
  S  S4  1  0.13  0.08  0.07  1.0
  S  S5  1  0.13  0.21  0.88  1.0
  S  S6  1  0.14  0.21  0.48  1.0
  S  S7  1  0.16  0.42  0.43  1.0
  S  S8  1  0.17  0.08  0.51  1.0
  S  S9  1  0.23  0.92  0.8  1.0
  S  S10  1  0.24  0.12  0.5  1.0
  S  S11  1  0.25  0.66  0.11  1.0
  S  S12  1  0.48  0.24  0.38  1.0
  S  S13  1  0.53  0.68  0.8  1.0
  S  S14  1  0.54  0.25  0.62  1.0
  S  S15  1  0.64  0.45  0.15  1.0
  S  S16  1  0.76  0.56  0.81  1.0
  S  S17  1  0.8  0.27  0.77  1.0

S S S S S S S S S S S S S S S S S S