data_ZnS
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   19.01
_cell_length_b   19.01
_cell_length_c   19.01
_cell_angle_alpha   11.64
_cell_angle_beta   11.64
_cell_angle_gamma   11.64
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZnS
_chemical_formula_sum   'Zn6 S6'
_cell_volume   243.29
_cell_formula_units_Z   6
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  0.0  0.0  0.17  1.0
  Zn  Zn1  1  0.0  0.0  0.2  1.0
  Zn  Zn2  1  0.0  0.0  0.61  1.0
  Zn  Zn3  1  0.0  0.0  0.91  1.0
  Zn  Zn4  1  0.0  0.0  0.64  1.0
  Zn  Zn5  1  0.0  0.0  0.59  1.0
  S  S6  1  0.0  0.0  0.81  1.0
  S  S7  1  0.0  0.0  0.28  1.0
  S  S8  1  0.0  0.0  0.26  1.0
  S  S9  1  0.0  0.0  0.85  1.0
  S  S10  1  0.0  0.0  0.55  1.0
  S  S11  1  0.0  0.0  0.23  1.0

data_ZnS
_symmetry_space_group_name_H-M   Cm
_cell_length_a   6.68
_cell_length_b   3.86
_cell_length_c   19.01
_cell_angle_alpha   90.0
_cell_angle_beta   96.73
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   ZnS
_chemical_formula_sum   'Zn12 S12'
_cell_volume   486.57
_cell_formula_units_Z   12
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  'x, -y, z'
  3  'x+1/2, y+1/2, z'
  4  'x+1/2, -y+1/2, 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  -0.0  0.0  0.8  1.0
  Zn  Zn1  2  -0.0  0.0  0.83  1.0
  Zn  Zn2  2  -0.0  0.0  0.36  1.0
  Zn  Zn3  2  -0.0  0.0  0.39  1.0
  Zn  Zn4  2  -0.0  0.0  0.41  1.0
  Zn  Zn5  2  -0.0  0.0  0.09  1.0
  S  S6  2  -0.0  0.0  0.72  1.0
  S  S7  2  -0.0  0.0  0.74  1.0
  S  S8  2  -0.0  0.0  0.77  1.0
  S  S9  2  -0.0  0.0  0.45  1.0
  S  S10  2  -0.0  0.0  0.15  1.0
  S  S11  2  -0.0  0.0  0.19  1.0

Zn Zn Zn Zn Zn Zn S S S S S S
ZnS is Cyanogen Chloride-derived structured and crystallizes in the monoclinic Cm space group. The structure is zero-dimensional and consists of two Zn2S3 clusters, two Zn3S clusters, and two ZnS2 clusters. In each Zn2S3 cluster, there are two inequivalent Zn sites. In the first Zn site, Zn(1) is bonded in a single-bond geometry to one Zn(2) atom. The Zn(1)-Zn(2) bond length is 0.53 Å. In the second Zn site, Zn(2) is bonded in a distorted single-bond geometry to one Zn(1) and one S(6) atom. The Zn(2)-S(6) bond length is 0.49 Å. There are three inequivalent S sites. In the first S site, S(2) is bonded in a single-bond geometry to one S(3) atom. The S(2)-S(3) bond length is 0.52 Å. In the second S site, S(3) is bonded in a linear geometry to one S(2) and one S(6) atom. The S(3)-S(6) bond length is 0.52 Å. In the third S site, S(6) is bonded in a distorted single-bond geometry to one Zn(2) and one S(3) atom. In each Zn3S cluster, there are three inequivalent Zn sites. In the first Zn site, Zn(3) is bonded in a linear geometry to one Zn(5) and one Zn(6) atom. The Zn(3)-Zn(5) bond length is 0.57 Å. The Zn(3)-Zn(6) bond length is 0.51 Å. In the second Zn site, Zn(5) is bonded in a single-bond geometry to one Zn(3) atom. In the third Zn site, Zn(6) is bonded in a distorted linear geometry to one Zn(3) and one S(5) atom. The Zn(6)-S(5) bond length is 0.64 Å. S(5) is bonded in a single-bond geometry to one Zn(6) atom. In each ZnS2 cluster, Zn(4) is bonded in a single-bond geometry to one S(4) atom. The Zn(4)-S(4) bond length is 1.18 Å. There are two inequivalent S sites. In the first S site, S(1) is bonded in a single-bond geometry to one S(4) atom. The S(1)-S(4) bond length is 0.60 Å. In the second S site, S(4) is bonded in a linear geometry to one Zn(4) and one S(1) atom.