The material structure described by NHS3 is Indium-like structured and crystallizes in the monoclinic P2/c space group. The structure is zero-dimensional and consists of four 1,2,3,4,6,7,5,8-hexathiadiazocane molecules. N(1) is bonded in a distorted trigonal planar geometry to one H(1), one S(1), and one S(3) atom. H(1) is bonded in a single-bond geometry to one N(1) atom. There are three inequivalent S sites. In the first S site, S(1) is bonded in a distorted single-bond geometry to one N(1) and one S(2) atom. In the second S site, S(2) is bonded in a water-like geometry to one S(1) and one S(2) atom. In the third S site, S(3) is bonded in a distorted single-bond geometry to one N(1) atom. is represented by the CIF card [CIF]
data_HS3N
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   13.192
_cell_length_b   8.511
_cell_length_c   9.337
_cell_angle_alpha   58.814
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   896.836
_cell_formula_units_Z   8
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
  H  H0  1  0.460  0.716  0.924  1.0
  H  H1  1  0.460  0.284  0.576  1.0
  H  H2  1  0.540  0.284  0.076  1.0
  H  H3  1  0.540  0.716  0.424  1.0
  H  H4  1  0.076  0.781  0.633  1.0
  H  H5  1  0.076  0.219  0.867  1.0
  H  H6  1  0.924  0.219  0.367  1.0
  H  H7  1  0.924  0.781  0.133  1.0
  S  S8  1  0.405  0.793  0.538  1.0
  S  S9  1  0.405  0.207  0.962  1.0
  S  S10  1  0.595  0.207  0.462  1.0
  S  S11  1  0.595  0.793  0.038  1.0
  S  S12  1  0.307  0.574  0.619  1.0
  S  S13  1  0.307  0.426  0.881  1.0
  S  S14  1  0.693  0.426  0.381  1.0
  S  S15  1  0.693  0.574  0.119  1.0
  S  S16  1  0.392  0.641  0.184  1.0
  S  S17  1  0.392  0.359  0.316  1.0
  S  S18  1  0.608  0.359  0.816  1.0
  S  S19  1  0.608  0.641  0.684  1.0
  S  S20  1  0.843  0.925  0.690  1.0
  S  S21  1  0.843  0.075  0.810  1.0
  S  S22  1  0.157  0.075  0.310  1.0
  S  S23  1  0.157  0.925  0.190  1.0
  S  S24  1  0.941  0.706  0.818  1.0
  S  S25  1  0.941  0.294  0.682  1.0
  S  S26  1  0.059  0.294  0.182  1.0
  S  S27  1  0.059  0.706  0.318  1.0
  S  S28  1  0.144  0.859  0.820  1.0
  S  S29  1  0.144  0.141  0.680  1.0
  S  S30  1  0.856  0.141  0.180  1.0
  S  S31  1  0.856  0.859  0.320  1.0
  N  N32  1  0.476  0.732  0.023  1.0
  N  N33  1  0.476  0.268  0.477  1.0
  N  N34  1  0.524  0.268  0.977  1.0
  N  N35  1  0.524  0.732  0.523  1.0
  N  N36  1  0.060  0.764  0.748  1.0
  N  N37  1  0.060  0.236  0.752  1.0
  N  N38  1  0.940  0.236  0.252  1.0
  N  N39  1  0.940  0.764  0.248  1.0
[/CIF]
.
The material structure described by NHS3 is Indium-like structured and crystallizes in the monoclinic P2/c space group. The structure is zero-dimensional and consists of four 1,2,3,4,6,7,5,8-hexathiadiazocane molecules. N(1) is bonded in a distorted trigonal planar geometry to one H(1), one S(1), and one S(3) atom. H(1) is bonded in a single-bond geometry to one N(1) atom. There are three inequivalent S sites. In the first S site, S(1) is bonded in a distorted single-bond geometry to one N(1) and one S(2) atom. In the second S site, S(2) is bonded in a water-like geometry to one S(1) and one S(2) atom. In the third S site, S(3) is bonded in a distorted single-bond geometry to one N(1) atom. is represented by the CIF card [CIF]
data_HS3N
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   13.192
_cell_length_b   8.511
_cell_length_c   9.337
_cell_angle_alpha   58.814
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   896.836
_cell_formula_units_Z   8
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
  H  H0  1  0.460  0.716  0.924  1.0
  H  H1  1  0.460  0.284  0.576  1.0
  H  H2  1  0.540  0.284  0.076  1.0
  H  H3  1  0.540  0.716  0.424  1.0
  H  H4  1  0.076  0.781  0.633  1.0
  H  H5  1  0.076  0.219  0.867  1.0
  H  H6  1  0.924  0.219  0.367  1.0
  H  H7  1  0.924  0.781  0.133  1.0
  S  S8  1  0.405  0.793  0.538  1.0
  S  S9  1  0.405  0.207  0.962  1.0
  S  S10  1  0.595  0.207  0.462  1.0
  S  S11  1  0.595  0.793  0.038  1.0
  S  S12  1  0.307  0.574  0.619  1.0
  S  S13  1  0.307  0.426  0.881  1.0
  S  S14  1  0.693  0.426  0.381  1.0
  S  S15  1  0.693  0.574  0.119  1.0
  S  S16  1  0.392  0.641  0.184  1.0
  S  S17  1  0.392  0.359  0.316  1.0
  S  S18  1  0.608  0.359  0.816  1.0
  S  S19  1  0.608  0.641  0.684  1.0
  S  S20  1  0.843  0.925  0.690  1.0
  S  S21  1  0.843  0.075  0.810  1.0
  S  S22  1  0.157  0.075  0.310  1.0
  S  S23  1  0.157  0.925  0.190  1.0
  S  S24  1  0.941  0.706  0.818  1.0
  S  S25  1  0.941  0.294  0.682  1.0
  S  S26  1  0.059  0.294  0.182  1.0
  S  S27  1  0.059  0.706  0.318  1.0
  S  S28  1  0.144  0.859  0.820  1.0
  S  S29  1  0.144  0.141  0.680  1.0
  S  S30  1  0.856  0.141  0.180  1.0
  S  S31  1  0.856  0.859  0.320  1.0
  N  N32  1  0.476  0.732  0.023  1.0
  N  N33  1  0.476  0.268  0.477  1.0
  N  N34  1  0.524  0.268  0.977  1.0
  N  N35  1  0.524  0.732  0.523  1.0
  N  N36  1  0.060  0.764  0.748  1.0
  N  N37  1  0.060  0.236  0.752  1.0
  N  N38  1  0.940  0.236  0.252  1.0
  N  N39  1  0.940  0.764  0.248  1.0
[/CIF]
.