data_DIMSO_lattice
_audit_creation_date              2022-05-24
_audit_creation_method            'Materials Studio'
_symmetry_space_group_name_H-M    'P21/C'
_symmetry_Int_Tables_number       14
_symmetry_cell_setting            monoclinic
loop_
_symmetry_equiv_pos_as_xyz
  x,y,z
  -x,y+1/2,-z+1/2
  -x,-y,-z
  x,-y+1/2,z+1/2
_cell_length_a                    5.2160
_cell_length_b                    7.2517
_cell_length_c                    11.3532
_cell_angle_alpha                 90.0000
_cell_angle_beta                  94.2831
_cell_angle_gamma                 90.0000
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
S      S     0.32445   0.09735   0.29765  1.00
O      O     0.61174   0.09197   0.32298  1.00
C1     C     0.19417  -0.09124   0.37547  1.00
C2     C     0.20490   0.27933   0.38541  1.00
H1A    H     0.26824  -0.08734   0.46914  1.00
H1B    H     0.25229  -0.21811   0.33107  1.00
H1C    H    -0.01695  -0.07649   0.36654  1.00
H2A    H     0.28368   0.26344   0.47752  1.00
H2B    H     0.26599   0.40996   0.34673  1.00
H2C    H    -0.00664   0.26906   0.37871  1.00
