data_GeS3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.73
_cell_length_b   6.73
_cell_length_c   6.73
_cell_angle_alpha   149.89
_cell_angle_beta   149.89
_cell_angle_gamma   43.1
_symmetry_Int_Tables_number   1
_chemical_formula_structural   GeS3
_chemical_formula_sum   'Ge1 S3'
_cell_volume   76.42
_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  0.26  1.0
  S  S1  1  0.75  0.0  0.13  1.0
  S  S2  1  0.0  0.75  0.13  1.0
  S  S3  1  0.0  0.0  0.0  1.0

data_GeS3
_symmetry_space_group_name_H-M   Cm
_cell_length_a   4.94
_cell_length_b   4.94
_cell_length_c   6.73
_cell_angle_alpha   90.0
_cell_angle_beta   111.55
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   GeS3
_chemical_formula_sum   'Ge2 S6'
_cell_volume   152.84
_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  0.26  0.0  0.26  1.0
  S  S1  4  0.26  0.13  0.38  1.0
  S  S2  2  0.0  0.0  0.0  1.0

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