data_Ge2S
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.61
_cell_length_b   5.61
_cell_length_c   5.61
_cell_angle_alpha   119.78
_cell_angle_beta   119.78
_cell_angle_gamma   90.39
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ge2S
_chemical_formula_sum   'Ge4 S2'
_cell_volume   125.18
_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  0.05  0.76  0.0  1.0
  Ge  Ge1  1  0.76  0.05  0.95  1.0
  Ge  Ge2  1  0.87  0.05  0.0  1.0
  Ge  Ge3  1  0.95  0.76  0.95  1.0
  S  S4  1  0.0  0.0  0.93  1.0
  S  S5  1  0.0  0.0  0.98  1.0

data_Ge2S
_symmetry_space_group_name_H-M   P1
_cell_length_a   5.61
_cell_length_b   5.61
_cell_length_c   5.61
_cell_angle_alpha   90.39
_cell_angle_beta   119.78
_cell_angle_gamma   119.78
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ge2S
_chemical_formula_sum   'Ge4 S2'
_cell_volume   125.18
_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  0.87  0.05  1.0
  Ge  Ge1  1  0.0  0.05  0.76  1.0
  Ge  Ge2  1  0.95  0.76  0.05  1.0
  Ge  Ge3  1  0.95  0.95  0.76  1.0
  S  S4  1  0.93  0.0  0.0  1.0
  S  S5  1  0.98  0.0  0.0  1.0

Ge Ge Ge Ge S S
Ge Ge Ge Ge S S 0 3 - o - 1 2 o o + 4 5 o o o 