data_ZnH8C12(SN)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.95
_cell_length_b   8.95
_cell_length_c   11.16
_cell_angle_alpha   98.71
_cell_angle_beta   98.71
_cell_angle_gamma   64.12
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZnH8C12(SN)4
_chemical_formula_sum   'Zn2 H16 C24 S8 N8'
_cell_volume   791.08
_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
  Zn  Zn0  1  0.09  0.8  0.24  1.0
  Zn  Zn1  1  0.08  0.2  0.75  1.0
  H  H2  1  0.22  0.44  0.35  1.0
  H  H3  1  0.96  0.44  0.13  1.0
  H  H4  1  0.96  0.56  0.63  1.0
  H  H5  1  0.21  0.56  0.86  1.0
  H  H6  1  0.99  0.03  0.27  1.0
  H  H7  1  0.18  0.03  0.22  1.0
  H  H8  1  0.18  0.97  0.71  1.0
  H  H9  1  0.99  0.97  0.76  1.0
  H  H10  1  0.12  0.17  0.59  1.0
  H  H11  1  0.05  0.17  0.9  1.0
  H  H12  1  0.05  0.83  0.4  1.0
  H  H13  1  0.12  0.83  0.08  1.0
  H  H14  1  0.15  0.57  0.66  1.0
  H  H15  1  0.02  0.57  0.82  1.0
  H  H16  1  0.02  0.43  0.33  1.0
  H  H17  1  0.15  0.43  0.16  1.0
  C  C18  1  0.05  0.07  0.65  1.0
  C  C19  1  0.12  0.07  0.82  1.0
  C  C20  1  0.12  0.93  0.33  1.0
  C  C21  1  0.05  0.93  0.16  1.0
  C  C22  1  0.94  0.95  0.74  1.0
  C  C23  1  0.23  0.95  0.75  1.0
  C  C24  1  0.24  0.05  0.25  1.0
  C  C25  1  0.94  0.05  0.23  1.0
  C  C26  1  0.05  0.72  0.09  1.0
  C  C27  1  0.12  0.72  0.4  1.0
  C  C28  1  0.13  0.28  0.89  1.0
  C  C29  1  0.05  0.28  0.58  1.0
  C  C30  1  0.23  0.58  0.35  1.0
  C  C31  1  0.94  0.58  0.14  1.0
  C  C32  1  0.94  0.42  0.63  1.0
  C  C33  1  0.24  0.42  0.84  1.0
  C  C34  1  0.26  0.69  0.27  1.0
  C  C35  1  0.92  0.69  0.2  1.0
  C  C36  1  0.91  0.31  0.71  1.0
  C  C37  1  0.25  0.31  0.78  1.0
  C  C38  1  0.08  0.94  0.04  1.0
  C  C39  1  0.09  0.94  0.44  1.0
  C  C40  1  0.09  0.06  0.95  1.0
  C  C41  1  0.08  0.06  0.55  1.0
  S  S42  1  0.05  0.9  0.4  1.0
  S  S43  1  0.12  0.9  0.09  1.0
  S  S44  1  0.13  0.1  0.58  1.0
  S  S45  1  0.05  0.1  0.9  1.0
  S  S46  1  0.9  0.96  0.56  1.0
  S  S47  1  0.27  0.96  0.91  1.0
  S  S48  1  0.27  0.04  0.42  1.0
  S  S49  1  0.9  0.04  0.07  1.0
  N  N50  1  0.18  0.95  0.92  1.0
  N  N51  1  0.99  0.95  0.55  1.0
  N  N52  1  0.99  0.05  0.06  1.0
  N  N53  1  0.18  0.05  0.43  1.0
  N  N54  1  0.98  0.63  0.4  1.0
  N  N55  1  0.2  0.63  0.08  1.0
  N  N56  1  0.2  0.37  0.59  1.0
  N  N57  1  0.97  0.37  0.9  1.0

data_ZnH8C12(SN)4
_symmetry_space_group_name_H-M   P-1
_cell_length_a   8.95
_cell_length_b   8.95
_cell_length_c   11.16
_cell_angle_alpha   81.29
_cell_angle_beta   81.29
_cell_angle_gamma   64.12
_symmetry_Int_Tables_number   2
_chemical_formula_structural   ZnH8C12(SN)4
_chemical_formula_sum   'Zn2 H16 C24 S8 N8'
_cell_volume   791.08
_cell_formula_units_Z   2
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
  Zn  Zn0  2  0.5  0.2  0.75  1.0
  H  H1  2  0.37  0.56  0.86  1.0
  H  H2  2  0.37  0.44  0.37  1.0
  H  H3  2  0.4  0.03  0.22  1.0
  H  H4  2  0.41  0.97  0.73  1.0
  H  H5  2  0.43  0.43  0.16  1.0
  H  H6  2  0.44  0.57  0.67  1.0
  H  H7  2  0.46  0.17  0.59  1.0
  H  H8  2  0.47  0.83  0.1  1.0
  C  C9  2  0.33  0.31  0.78  1.0
  C  C10  2  0.33  0.69  0.29  1.0
  C  C11  2  0.35  0.58  0.35  1.0
  C  C12  2  0.35  0.95  0.75  1.0
  C  C13  2  0.35  0.42  0.86  1.0
  C  C14  2  0.35  0.05  0.26  1.0
  C  C15  2  0.46  0.72  0.4  1.0
  C  C16  2  0.46  0.28  0.91  1.0
  C  C17  2  0.46  0.93  0.33  1.0
  C  C18  2  0.47  0.07  0.84  1.0
  C  C19  2  0.49  0.06  0.95  1.0
  C  C20  2  0.5  0.94  0.45  1.0
  S  S21  2  0.31  0.04  0.42  1.0
  S  S22  2  0.32  0.96  0.93  1.0
  S  S23  2  0.46  0.9  0.09  1.0
  S  S24  2  0.46  0.1  0.6  1.0
  N  N25  2  0.39  0.37  0.59  1.0
  N  N26  2  0.39  0.63  0.1  1.0
  N  N27  2  0.41  0.05  0.43  1.0
  N  N28  2  0.41  0.95  0.94  1.0

Zn Zn H H H H H H H H H H H H H H H H C C C C C C C C C C C C C C C C C C C C C C C C S S S S S S S S N N N N N N N N
ZnC11H7(NS)4CH is Indium-derived structured and crystallizes in the triclinic P-1 space group. The structure is zero-dimensional and consists of two 02329_fluka molecules and two ZnC11H7(NS)4 clusters. In each ZnC11H7(NS)4 cluster, Zn(1) is bonded in a 4-coordinate geometry to one C(1), one C(10), one C(2), one C(5), and one C(9) atom. The Zn(1)-C(1) bond length is 1.54 Å. The Zn(1)-C(10) bond length is 2.09 Å. The Zn(1)-C(2) bond length is 1.45 Å. The Zn(1)-C(5) bond length is 1.74 Å. The Zn(1)-C(9) bond length is 1.43 Å. There are eleven inequivalent C sites. In the first C site, C(1) is bonded in a 5-coordinate geometry to one Zn(1), one C(12), one N(2), one H(3), and one S(1) atom. The C(1)-C(12) bond length is 1.21 Å. The C(1)-N(2) bond length is 1.65 Å. The C(1)-H(3) bond length is 1.30 Å. The C(1)-S(1) bond length is 1.23 Å. In the second C site, C(2) is bonded in a 2-coordinate geometry to one Zn(1) and one S(2) atom. The C(2)-S(2) bond length is 1.04 Å. In the third C site, C(4) is bonded in a single-bond geometry to one H(3) atom. The C(4)-H(3) bond length is 0.57 Å. In the fourth C site, C(5) is bonded in a 3-coordinate geometry to one Zn(1), one N(4), and one H(6) atom. The C(5)-N(4) bond length is 1.26 Å. The C(5)-H(6) bond length is 1.46 Å. In the fifth C site, C(6) is bonded in a distorted single-bond geometry to one C(7), one N(3), and one H(5) atom. The C(6)-C(7) bond length is 1.33 Å. The C(6)-N(3) bond length is 1.79 Å. The C(6)-H(5) bond length is 0.92 Å. In the sixth C site, C(7) is bonded in a 3-coordinate geometry to one C(6), one C(9), and one H(1) atom. The C(7)-C(9) bond length is 1.49 Å. The C(7)-H(1) bond length is 1.30 Å. In the seventh C site, C(8) is bonded in a 1-coordinate geometry to one C(10), one H(2), and one H(8) atom. The C(8)-C(10) bond length is 1.05 Å. The C(8)-H(2) bond length is 1.13 Å. The C(8)-H(8) bond length is 1.78 Å. In the eighth C site, C(9) is bonded in a single-bond geometry to one Zn(1) and one C(7) atom. In the ninth C site, C(10) is bonded in a distorted bent 120 degrees geometry to one Zn(1) and one C(8) atom. In the tenth C site, C(11) is bonded in a distorted bent 120 degrees geometry to one N(1) and one S(2) atom. The C(11)-N(1) bond length is 1.02 Å. The C(11)-S(2) bond length is 0.66 Å. In the eleventh C site, C(12) is bonded in a distorted single-bond geometry to one C(1) and one S(1) atom. The C(12)-S(1) bond length is 0.69 Å. There are four inequivalent N sites. In the first N site, N(1) is bonded in a distorted water-like geometry to one C(11) and one S(4) atom. The N(1)-S(4) bond length is 0.91 Å. In the second N site, N(2) is bonded in a distorted single-bond geometry to one C(1) and one S(3) atom. The N(2)-S(3) bond length is 0.82 Å. In the third N site, N(3) is bonded in a distorted bent 120 degrees geometry to one C(6) and one H(7) atom. The N(3)-H(7) bond length is 1.73 Å. In the fourth N site, N(4) is bonded in a distorted single-bond geometry to one C(5) atom. There are seven inequivalent H sites. In the first H site, H(1) is bonded in a single-bond geometry to one C(7) atom. In the second H site, H(2) is bonded in a single-bond geometry to one C(8) atom. In the third H site, H(3) is bonded in a 2-coordinate geometry to one C(1) and one C(4) atom. In the fourth H site, H(5) is bonded in a distorted bent 150 degrees geometry to one C(6) and one S(1) atom. The H(5)-S(1) bond length is 0.55 Å. In the fifth H site, H(6) is bonded in a distorted single-bond geometry to one C(5) and one S(2) atom. The H(6)-S(2) bond length is 0.56 Å. In the sixth H site, H(7) is bonded in a single-bond geometry to one N(3) atom. In the seventh H site, H(8) is bonded in a single-bond geometry to one C(8) atom. There are four inequivalent S sites. In the first S site, S(1) is bonded in a 2-coordinate geometry to one C(1), one C(12), and one H(5) atom. In the second S site, S(2) is bonded in a 3-coordinate geometry to one C(11), one C(2), and one H(6) atom. In the third S site, S(3) is bonded in a single-bond geometry to one N(2) atom. In the fourth S site, S(4) is bonded in a single-bond geometry to one N(1) atom.