data_Ge3S
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.91
_cell_length_b   6.91
_cell_length_c   6.91
_cell_angle_alpha   30.85
_cell_angle_beta   30.85
_cell_angle_gamma   30.85
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ge3S
_chemical_formula_sum   'Ge3 S1'
_cell_volume   76.91
_cell_formula_units_Z   1
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  0.0  0.81  1.0
  Ge  Ge1  1  0.0  0.0  0.86  1.0
  Ge  Ge2  1  0.0  0.0  0.91  1.0
  S  S3  1  0.0  0.0  0.0  1.0

data_Ge3S
_symmetry_space_group_name_H-M   Cm
_cell_length_a   6.37
_cell_length_b   3.68
_cell_length_c   6.91
_cell_angle_alpha   90.0
_cell_angle_beta   107.89
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   Ge3S
_chemical_formula_sum   'Ge6 S2'
_cell_volume   153.82
_cell_formula_units_Z   2
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
  Ge  Ge0  2  0.0  0.0  0.09  1.0
  Ge  Ge1  2  0.0  0.0  0.14  1.0
  Ge  Ge2  2  0.0  0.0  0.19  1.0
  S  S3  2  0.0  0.0  0.0  1.0

Ge Ge Ge S