data_Ba(AlGe)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.29
_cell_length_b   4.32
_cell_length_c   11.09
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ba(AlGe)2
_chemical_formula_sum   'Ba4 Al8 Ge8'
_cell_volume   493.65
_cell_formula_units_Z   4
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
  Ba  Ba0  1  0.59  0.24  0.61  1.0
  Ba  Ba1  1  0.74  0.24  0.94  1.0
  Ba  Ba2  1  0.7  0.08  0.48  1.0
  Ba  Ba3  1  0.55  0.08  0.15  1.0
  Al  Al4  1  0.44  0.08  0.31  1.0
  Al  Al5  1  0.25  0.24  0.02  1.0
  Al  Al6  1  0.71  0.24  0.86  1.0
  Al  Al7  1  0.11  0.24  0.52  1.0
  Al  Al8  1  0.19  0.08  0.57  1.0
  Al  Al9  1  0.59  0.08  0.23  1.0
  Al  Al10  1  0.85  0.24  0.78  1.0
  Al  Al11  1  0.04  0.08  0.07  1.0
  Ge  Ge12  1  0.65  0.08  0.99  1.0
  Ge  Ge13  1  0.65  0.24  0.1  1.0
  Ge  Ge14  1  0.9  0.08  0.74  1.0
  Ge  Ge15  1  0.4  0.24  0.35  1.0
  Ge  Ge16  1  0.25  0.24  0.28  1.0
  Ge  Ge17  1  0.79  0.08  0.64  1.0
  Ge  Ge18  1  0.04  0.08  0.81  1.0
  Ge  Ge19  1  0.5  0.24  0.45  1.0

data_Ba(AlGe)2
_symmetry_space_group_name_H-M   P-1
_cell_length_a   4.32
_cell_length_b   10.29
_cell_length_c   11.09
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   2
_chemical_formula_structural   Ba(AlGe)2
_chemical_formula_sum   'Ba4 Al8 Ge8'
_cell_volume   493.65
_cell_formula_units_Z   4
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
  Ba  Ba0  2  0.42  0.05  0.94  1.0
  Ba  Ba1  2  0.42  0.91  0.61  1.0
  Al  Al2  2  0.42  0.39  0.52  1.0
  Al  Al3  2  0.42  0.54  0.02  1.0
  Al  Al4  2  0.42  0.79  0.77  1.0
  Al  Al5  2  0.42  0.94  0.69  1.0
  Ge  Ge6  2  0.42  0.0  0.45  1.0
  Ge  Ge7  2  0.42  0.15  0.1  1.0
  Ge  Ge8  2  0.42  0.25  0.19  1.0
  Ge  Ge9  2  0.42  0.4  0.26  1.0

Ba Ba Ba Ba Al Al Al Al Al Al Al Al Ge Ge Ge Ge Ge Ge Ge Ge
Ba Ba Ba Ba Al Al Al Al Al Al Al Al Ge Ge Ge Ge Ge Ge Ge Ge 0 19 o o o 0 2 o o o 0 17 o o o 1 6 o o o 1 12 o o o 2 19 o o o 2 17 o o o 3 9 o o o 3 13 o o o 4 15 o o o 4 19 o o o 5 11 o o o 7 8 o o o 10 14 o o o 10 17 o o o 12 13 o o + 14 17 o o o 14 18 + o o 15 16 o o o 15 19 o o o 