data_[Tb20Tl8Fe8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tb  1.1000  1.7500  0.9815
  Tl  1.6200  1.9000  1.3325
  Fe  1.8300  1.4000  0.8525
]
_symmetry_space_group_name_H-M [Cmce]
_cell_length_a [16.9884]
_cell_length_b [7.3409]
_cell_length_c [7.3667]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [64]
_chemical_formula_structural [Tb5(TlFe)2]
_chemical_formula_sum '[Tb20 Tl8 Fe8]'
_cell_volume [918.7079]
_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  16  0.1177  0.1836  0.6800  1
  Tb  Tb1  4  0.0000  0.0000  0.0000  1
  Tl  Tl2  8  0.2280  0.0000  0.0000  1
  Fe  Fe3  8  0.0000  0.1052  0.3942  1
]