data_Ge2Cl
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.33
_cell_length_b   5.33
_cell_length_c   5.45
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ge2Cl
_chemical_formula_sum   'Ge4 Cl2'
_cell_volume   133.94
_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  0.0  0.0  0.0  1.0
  Ge  Ge3  1  0.0  0.0  0.72  1.0
  Ge  Ge4  1  0.66  0.54  0.36  1.0
  Ge  Ge5  1  0.0  0.08  0.09  1.0
  Cl  Cl0  1  0.0  0.08  0.36  1.0
  Cl  Cl1  1  0.66  0.54  0.09  1.0

data_Ge2Cl
_symmetry_space_group_name_H-M   P1
_cell_length_a   5.33
_cell_length_b   5.33
_cell_length_c   5.45
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ge2Cl
_chemical_formula_sum   'Ge4 Cl2'
_cell_volume   133.94
_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  0.0  0.0  1.0
  Ge  Ge1  1  0.0  0.0  0.72  1.0
  Ge  Ge2  1  0.0  0.08  0.09  1.0
  Ge  Ge3  1  0.66  0.54  0.36  1.0
  Cl  Cl4  1  0.0  0.08  0.36  1.0
  Cl  Cl5  1  0.66  0.54  0.09  1.0

Ge Ge Ge Ge Cl Cl
Ge Ge Ge Ge Cl Cl 0 3 o o o 0 1 o o - 2 5 o o o 3 4 o o o 