data_GeS5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.35
_cell_length_b   10.3
_cell_length_c   10.3
_cell_angle_alpha   19.05
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   GeS5
_chemical_formula_sum   'Ge1 S5'
_cell_volume   115.95
_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  0.67  0.0  0.2  1.0
  S  S1  1  0.67  0.0  0.11  1.0
  S  S2  1  0.67  0.0  0.35  1.0
  S  S3  1  0.0  0.0  0.92  1.0
  S  S4  1  0.0  0.0  0.1  1.0
  S  S5  1  0.0  0.0  0.82  1.0

data_GeS5
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.35
_cell_length_b   3.41
_cell_length_c   10.3
_cell_angle_alpha   99.52
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   GeS5
_chemical_formula_sum   'Ge1 S5'
_cell_volume   115.95
_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  0.33  0.2  0.2  1.0
  S  S1  1  0.0  0.1  0.1  1.0
  S  S2  1  0.0  0.82  0.82  1.0
  S  S3  1  0.0  0.92  0.92  1.0
  S  S4  1  0.33  0.11  0.11  1.0
  S  S5  1  0.33  0.35  0.35  1.0

Ge S S S S S