data_[Tb9Al3Fe24]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tb  1.1000  1.7500  0.9815
  Al  1.6100  1.2500  0.6750
  Fe  1.8300  1.4000  0.8525
]
_symmetry_space_group_name_H-M [R3m]
_cell_length_a [5.0469]
_cell_length_b [5.0469]
_cell_length_c [24.7170]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [160]
_chemical_formula_structural [Tb3AlFe8]
_chemical_formula_sum '[Tb9 Al3 Fe24]'
_cell_volume [545.2278]
_cell_formula_units_Z [3]
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  3  0.0000  0.0000  0.0036  1
  Tb  Tb1  3  0.0000  0.0000  0.4973  1
  Tb  Tb2  3  0.0000  0.0000  0.6244  1
  Al  Al3  3  0.0000  0.0000  0.1267  1
  Fe  Fe4  9  0.0009  0.5005  0.0651  1
  Fe  Fe5  9  0.1688  0.3375  0.8928  1
  Fe  Fe6  3  0.0000  0.0000  0.3121  1
  Fe  Fe7  3  0.0000  0.0000  0.8122  1
]