data_Al2Ge
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.86
_cell_length_b   5.86
_cell_length_c   3.93
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Al2Ge
_chemical_formula_sum   'Al4 Ge2'
_cell_volume   134.91
_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
  Al  Al0  1  0.77  0.77  0.0  1.0
  Al  Al1  1  0.09  0.09  0.0  1.0
  Al  Al2  1  0.7  0.16  0.97  1.0
  Al  Al3  1  0.16  0.7  0.97  1.0
  Ge  Ge4  1  0.0  0.0  0.0  1.0
  Ge  Ge5  1  0.93  0.93  0.97  1.0

data_Al2Ge
_symmetry_space_group_name_H-M   Cm
_cell_length_a   8.28
_cell_length_b   8.28
_cell_length_c   3.93
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   Al2Ge
_chemical_formula_sum   'Al8 Ge4'
_cell_volume   269.83
_cell_formula_units_Z   4
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  4  0.43  0.27  0.97  1.0
  Al  Al1  2  0.09  0.0  0.0  1.0
  Al  Al2  2  0.27  0.5  0.0  1.0
  Ge  Ge3  2  0.0  0.0  0.0  1.0
  Ge  Ge4  2  0.43  0.5  0.97  1.0

Al Al Al Al Ge Ge
Al Al Al Al Ge Ge 0 5 o o - 0 2 o + - 0 3 + o - 1 4 o o o 1 2 - o - 1 3 o - - 2 4 + o + 2 5 o - o 3 4 o + + 3 5 - o o 4 5 - - - 