data_Tb3Al2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.28
_cell_length_b   8.28
_cell_length_c   7.61
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Tb3Al2
_chemical_formula_sum   'Tb12 Al8'
_cell_volume   521.72
_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
  Tb  Tb0  1  0.81  0.81  0.0  1.0
  Tb  Tb1  1  0.47  0.47  0.0  1.0
  Tb  Tb2  1  0.61  0.67  0.8  1.0
  Tb  Tb3  1  0.67  0.61  0.8  1.0
  Tb  Tb4  1  0.0  0.14  0.9  1.0
  Tb  Tb5  1  0.14  0.0  0.9  1.0
  Tb  Tb6  1  0.14  0.0  0.71  1.0
  Tb  Tb7  1  0.0  0.14  0.71  1.0
  Tb  Tb8  1  0.38  0.38  0.8  1.0
  Tb  Tb9  1  0.9  0.9  0.8  1.0
  Tb  Tb10  1  0.04  0.24  0.0  1.0
  Tb  Tb11  1  0.24  0.04  0.0  1.0
  Al  Al12  1  0.3  0.3  0.33  1.0
  Al  Al13  1  0.98  0.98  0.33  1.0
  Al  Al14  1  0.12  0.16  0.47  1.0
  Al  Al15  1  0.16  0.12  0.47  1.0
  Al  Al16  1  0.98  0.98  0.28  1.0
  Al  Al17  1  0.3  0.3  0.28  1.0
  Al  Al18  1  0.12  0.16  0.13  1.0
  Al  Al19  1  0.16  0.12  0.13  1.0

data_Tb3Al2
_symmetry_space_group_name_H-M   Cm
_cell_length_a   11.71
_cell_length_b   11.71
_cell_length_c   7.61
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   Tb3Al2
_chemical_formula_sum   'Tb24 Al16'
_cell_volume   1043.44
_cell_formula_units_Z   8
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
  Tb  Tb0  4  0.07  0.07  0.9  1.0
  Tb  Tb1  4  0.07  0.07  0.71  1.0
  Tb  Tb2  4  0.14  0.47  0.8  1.0
  Tb  Tb3  4  0.14  0.1  0.0  1.0
  Tb  Tb4  2  0.31  0.5  0.0  1.0
  Tb  Tb5  2  0.38  0.0  0.8  1.0
  Tb  Tb6  2  0.4  0.5  0.8  1.0
  Tb  Tb7  2  0.47  0.0  0.0  1.0
  Al  Al8  4  0.14  0.02  0.13  1.0
  Al  Al9  4  0.14  0.02  0.47  1.0
  Al  Al10  2  0.3  0.0  0.28  1.0
  Al  Al11  2  0.3  0.0  0.33  1.0
  Al  Al12  2  0.48  0.5  0.28  1.0
  Al  Al13  2  0.48  0.5  0.33  1.0

Tb Tb Tb Tb Tb Tb Tb Tb Tb Tb Tb Tb Al Al Al Al Al Al Al Al