data_Ge3Cl
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.68
_cell_length_b   5.68
_cell_length_c   5.14
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   105.25
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ge3Cl
_chemical_formula_sum   'Ge6 Cl2'
_cell_volume   160.14
_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  Ge2  1  0.45  0.05  0.85  1.0
  Ge  Ge3  1  0.45  0.95  0.28  1.0
  Ge  Ge4  1  0.47  0.19  0.85  1.0
  Ge  Ge5  1  0.43  0.81  0.28  1.0
  Ge  Ge6  1  0.47  0.81  0.28  1.0
  Ge  Ge7  1  0.43  0.19  0.85  1.0
  Cl  Cl0  1  0.45  0.11  0.85  1.0
  Cl  Cl1  1  0.45  0.89  0.28  1.0

data_Ge3Cl
_symmetry_space_group_name_H-M   P-1
_cell_length_a   5.14
_cell_length_b   5.68
_cell_length_c   5.68
_cell_angle_alpha   105.25
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   2
_chemical_formula_structural   Ge3Cl
_chemical_formula_sum   'Ge6 Cl2'
_cell_volume   160.14
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '-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  2  0.22  0.0  0.95  1.0
  Ge  Ge1  2  0.22  0.02  0.81  1.0
  Ge  Ge2  2  0.22  0.98  0.81  1.0
  Cl  Cl3  2  0.22  0.0  0.89  1.0

Ge Ge Ge Ge Ge Ge Cl Cl
Ge Ge Ge Ge Ge Ge Cl Cl 0 6 o o o 1 7 o o o 2 5 o o o 3 4 o o o 