data_AlGeCl2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.29
_cell_length_b   3.29
_cell_length_c   8.06
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   AlGeCl2
_chemical_formula_sum   'Al1 Ge1 Cl2'
_cell_volume   87.46
_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
  Al  Al0  1  0.0  0.0  0.96  1.0
  Ge  Ge3  1  0.65  0.65  0.19  1.0
  Cl  Cl1  1  0.65  0.65  0.41  1.0
  Cl  Cl2  1  0.0  0.0  0.6  1.0

data_AlGeCl2
_symmetry_space_group_name_H-M   Cm
_cell_length_a   4.66
_cell_length_b   4.66
_cell_length_c   8.06
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   AlGeCl2
_chemical_formula_sum   'Al2 Ge2 Cl4'
_cell_volume   174.93
_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
  Al  Al0  2  0.0  0.0  0.96  1.0
  Ge  Ge1  2  0.15  0.5  0.19  1.0
  Cl  Cl2  2  0.0  0.0  0.6  1.0
  Cl  Cl3  2  0.15  0.5  0.41  1.0

Al Ge Cl Cl
Al Ge Cl Cl 0 1 - - + 0 1 - o + 0 1 o - + 0 0 + o o 0 0 o + o 0 3 o o o 1 2 o o o 2 3 + + o 2 3 + o o 2 3 o + o 