data_[Tb6Al4Fe8]
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 [C2/m]
_cell_length_a [10.2390]
_cell_length_b [4.0733]
_cell_length_c [8.0715]
_cell_angle_alpha [90.0000]
_cell_angle_beta [98.3790]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Tb3(AlFe2)2]
_chemical_formula_sum '[Tb6 Al4 Fe8]'
_cell_volume [333.0424]
_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  4  0.1301  0.5000  0.3764  1.0
  Tb  Tb1  2  0.0000  0.0000  0.0000  1.0
  Al  Al2  4  0.1660  0.5000  0.7728  1.0
  Fe  Fe3  4  0.0748  0.0000  0.6239  1.0
  Fe  Fe4  4  0.2492  0.5000  0.0752  1.0
]