data_Tb2Al3Ge4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.98
_cell_length_b   7.98
_cell_length_c   7.97
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   136.22
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Tb2Al3Ge4
_chemical_formula_sum   'Tb4 Al6 Ge8'
_cell_volume   350.67
_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
  Tb  Tb14  1  0.97  0.29  0.33  1.0
  Tb  Tb15  1  0.97  0.7  0.62  1.0
  Tb  Tb16  1  0.97  0.3  0.35  1.0
  Tb  Tb17  1  0.97  0.71  0.64  1.0
  Al  Al0  1  0.0  0.0  0.0  1.0
  Al  Al1  1  0.97  0.0  0.98  1.0
  Al  Al2  1  0.46  0.8  0.99  1.0
  Al  Al3  1  0.49  0.8  0.99  1.0
  Al  Al4  1  0.46  0.2  0.97  1.0
  Al  Al5  1  0.49  0.2  0.97  1.0
  Ge  Ge6  1  0.46  0.33  0.99  1.0
  Ge  Ge7  1  0.49  0.33  0.99  1.0
  Ge  Ge8  1  0.97  0.67  0.55  1.0
  Ge  Ge9  1  0.97  0.26  0.4  1.0
  Ge  Ge10  1  0.97  0.74  0.56  1.0
  Ge  Ge11  1  0.97  0.33  0.42  1.0
  Ge  Ge12  1  0.46  0.67  0.97  1.0
  Ge  Ge13  1  0.49  0.67  0.97  1.0

data_Tb2Al3Ge4
_symmetry_space_group_name_H-M   P1
_cell_length_a   5.95
_cell_length_b   7.97
_cell_length_c   7.98
_cell_angle_alpha   90.0
_cell_angle_beta   111.89
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Tb2Al3Ge4
_chemical_formula_sum   'Tb4 Al6 Ge8'
_cell_volume   350.67
_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
  Tb  Tb0  1  0.29  0.67  0.32  1.0
  Tb  Tb1  1  0.3  0.65  0.33  1.0
  Tb  Tb2  1  0.7  0.38  0.72  1.0
  Tb  Tb3  1  0.71  0.36  0.73  1.0
  Al  Al4  1  0.0  0.0  0.0  1.0
  Al  Al5  1  0.0  0.02  0.03  1.0
  Al  Al6  1  0.2  0.03  0.72  1.0
  Al  Al7  1  0.2  0.03  0.74  1.0
  Al  Al8  1  0.8  0.01  0.31  1.0
  Al  Al9  1  0.8  0.01  0.34  1.0
  Ge  Ge10  1  0.26  0.6  0.29  1.0
  Ge  Ge11  1  0.33  0.01  0.85  1.0
  Ge  Ge12  1  0.33  0.01  0.87  1.0
  Ge  Ge13  1  0.33  0.58  0.36  1.0
  Ge  Ge14  1  0.67  0.45  0.69  1.0
  Ge  Ge15  1  0.67  0.03  0.18  1.0
  Ge  Ge16  1  0.67  0.03  0.2  1.0
  Ge  Ge17  1  0.74  0.44  0.76  1.0

Tb Tb Tb Tb Al Al Al Al Al Al Ge Ge Ge Ge Ge Ge Ge Ge
Tb Tb Tb Tb Al Al Al Al Al Al Ge Ge Ge Ge Ge Ge Ge Ge 0 2 o o o 0 13 o o o 1 3 o o o 1 12 o o o 1 14 o o o 2 13 o o o 2 15 o o o 3 14 o o o 4 5 - o - 6 7 o o o 8 9 o o o 10 11 o o o 12 14 o o o 13 15 o o o 16 17 o o o 