data_[Tb24Sm96Al40]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tb  1.1000  1.7500  0.9815
  Sm  1.1700  1.8500  1.2290
  Al  1.6100  1.2500  0.6750
]
_symmetry_space_group_name_H-M [Ia-3d]
_cell_length_a [18.1501]
_cell_length_b [18.1501]
_cell_length_c [18.1501]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [230]
_chemical_formula_structural [Tb3Sm12Al5]
_chemical_formula_sum '[Tb24 Sm96 Al40]'
_cell_volume [5979.1093]
_cell_formula_units_Z [8]
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  24  0.0000  0.2500  0.1250  1
  Sm  Sm1  96  0.0266  0.0706  0.6434  1
  Al  Al2  24  0.0000  0.2500  0.3750  1
  Al  Al3  16  0.0000  0.0000  0.0000  1
]