data_[Tb24Fe40O96]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tb  1.1000  1.7500  0.9815
  Fe  1.8300  1.4000  0.8525
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [Ia-3d]
_cell_length_a [12.4147]
_cell_length_b [12.4147]
_cell_length_c [12.4147]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [230]
_chemical_formula_structural [Tb3Fe5O12]
_chemical_formula_sum '[Tb24 Fe40 O96]'
_cell_volume [1913.4105]
_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
  Fe  Fe1  24  0.0000  0.2500  0.3750  1
  Fe  Fe2  16  0.0000  0.0000  0.0000  1
  O  O3  96  0.0268  0.0582  0.6506  1
]