data_Al2Ge
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.37
_cell_length_b   5.37
_cell_length_c   7.27
_cell_angle_alpha   108.04
_cell_angle_beta   108.04
_cell_angle_gamma   31.65
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Al2Ge
_chemical_formula_sum   'Al4 Ge2'
_cell_volume   104.17
_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  0.32  0.0  0.02  1.0
  Al  Al1  1  0.25  0.0  0.74  1.0
  Al  Al2  1  0.67  0.0  0.86  1.0
  Al  Al3  1  0.74  0.0  0.15  1.0
  Ge  Ge4  1  0.48  0.0  0.48  1.0
  Ge  Ge5  1  0.51  0.0  0.4  1.0

data_Al2Ge
_symmetry_space_group_name_H-M   P-1
_cell_length_a   2.93
_cell_length_b   5.37
_cell_length_c   7.27
_cell_angle_alpha   108.04
_cell_angle_beta   90.0
_cell_angle_gamma   105.82
_symmetry_Int_Tables_number   2
_chemical_formula_structural   Al2Ge
_chemical_formula_sum   'Al4 Ge2'
_cell_volume   104.17
_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
  Al  Al0  2  0.0  0.26  0.79  1.0
  Al  Al1  2  0.0  0.32  0.08  1.0
  Ge  Ge2  2  0.0  0.48  0.54  1.0

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