data_GeS
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.66
_cell_length_b   5.66
_cell_length_c   5.66
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   GeS
_chemical_formula_sum   'Ge4 S4'
_cell_volume   181.13
_cell_formula_units_Z   4
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
  Ge  Ge0  1  0.13  0.96  0.53  1.0
  Ge  Ge1  1  0.7  0.7  0.7  1.0
  Ge  Ge2  1  0.53  0.13  0.96  1.0
  Ge  Ge3  1  0.96  0.53  0.13  1.0
  S  S4  1  0.07  0.25  0.58  1.0
  S  S5  1  0.41  0.41  0.41  1.0
  S  S6  1  0.58  0.07  0.25  1.0
  S  S7  1  0.25  0.58  0.07  1.0

data_GeS
_symmetry_space_group_name_H-M   R3
_cell_length_a   8.0
_cell_length_b   8.0
_cell_length_c   9.8
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   146
_chemical_formula_structural   GeS
_chemical_formula_sum   'Ge12 S12'
_cell_volume   543.4
_cell_formula_units_Z   12
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '-y, x-y, z'
  3  '-x+y, -x, z'
  4  'x+1/3, y+2/3, z+2/3'
  5  '-y+1/3, x-y+2/3, z+2/3'
  6  '-x+y+1/3, -x+2/3, z+2/3'
  7  'x+2/3, y+1/3, z+1/3'
  8  '-y+2/3, x-y+1/3, z+1/3'
  9  '-x+y+2/3, -x+1/3, z+1/3'
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
  Ge  Ge0  9  0.09  0.74  0.87  1.0
  Ge  Ge1  3  0.0  0.0  0.7  1.0
  S  S2  9  0.11  0.38  0.97  1.0
  S  S3  3  0.0  0.0  0.41  1.0

Ge Ge Ge Ge S S S S
GeS is alpha Po structured and crystallizes in the trigonal R3 space group. The structure is zero-dimensional and consists of three GeS clusters. There are two inequivalent Ge sites. In the first Ge site, Ge(1) is bonded in a single-bond geometry to one S(1) atom. The Ge(1)-S(1) bond length is 1.69 Å. In the second Ge site, Ge(2) is bonded in a distorted single-bond geometry to one S(2) atom. The Ge(2)-S(2) bond length is 2.83 Å. There are two inequivalent S sites. In the first S site, S(1) is bonded in a single-bond geometry to one Ge(1) and one S(2) atom. The S(1)-S(2) bond length is 2.34 Å. In the second S site, S(2) is bonded in a distorted tetrahedral geometry to one Ge(2) and three equivalent S(1) atoms.