data_GeS2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.87
_cell_length_b   4.87
_cell_length_c   5.13
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   GeS2
_chemical_formula_sum   'Ge2 S4'
_cell_volume   105.2
_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  0.81  0.85  1.0
  Ge  Ge1  1  0.43  0.4  0.28  1.0
  S  S2  1  0.0  0.0  0.56  1.0
  S  S3  1  0.0  0.0  0.0  1.0
  S  S4  1  0.43  0.4  0.85  1.0
  S  S5  1  0.0  0.81  0.28  1.0

data_GeS2
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.87
_cell_length_b   4.87
_cell_length_c   5.13
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   GeS2
_chemical_formula_sum   'Ge2 S4'
_cell_volume   105.2
_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  0.81  0.85  1.0
  Ge  Ge1  1  0.43  0.4  0.28  1.0
  S  S2  1  0.0  0.0  0.0  1.0
  S  S3  1  0.0  0.0  0.56  1.0
  S  S4  1  0.0  0.81  0.28  1.0
  S  S5  1  0.43  0.4  0.85  1.0

Ge Ge S S S S