data_GeS
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.67
_cell_length_b   4.42
_cell_length_c   22.68
_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   'Ge2 S2'
_cell_volume   367.71
_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  0.0  0.37  0.56  1.0
  Ge  Ge1  1  0.5  0.87  0.44  1.0
  S  S2  1  0.0  0.5  0.45  1.0
  S  S3  1  0.5  1.0  0.55  1.0

Ge Ge S S 0 3 - - o 0 3 o - o 0 2 o o o 1 2 o o o 1 2 + o o 1 3 o o o 
data_GeS
_symmetry_space_group_name_H-M   Pmn2_1
_cell_length_a   3.67
_cell_length_b   22.68
_cell_length_c   4.42
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   31
_chemical_formula_structural   GeS
_chemical_formula_sum   'Ge2 S2'
_cell_volume   367.71
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '-x+1/2, -y, z+1/2'
  3  '-x, y, z'
  4  'x+1/2, -y, z+1/2'
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  0.0  0.44  0.37  1.0
  S  S1  2  0.0  0.55  0.5  1.0

Ge Ge S S