data_GeS
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.94
_cell_length_b   3.87
_cell_length_c   5.68
_cell_angle_alpha   90.0
_cell_angle_beta   95.86
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   GeS
_chemical_formula_sum   'Ge2 S2'
_cell_volume   86.19
_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
  Ge  Ge0  1  0.8  0.91  0.23  1.0
  Ge  Ge1  1  0.56  0.97  0.42  1.0
  S  S2  1  0.31  0.91  0.42  1.0
  S  S3  1  0.04  0.97  0.24  1.0

data_GeS
_symmetry_space_group_name_H-M   P-1
_cell_length_a   3.87
_cell_length_b   3.94
_cell_length_c   5.68
_cell_angle_alpha   95.86
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   2
_chemical_formula_structural   GeS
_chemical_formula_sum   'Ge2 S2'
_cell_volume   86.19
_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
  Ge  Ge0  2  0.03  0.88  0.59  1.0
  S  S1  2  0.03  0.36  0.41  1.0

Ge Ge S S
Ge Ge S S 0 3 + o o 1 2 o o o 