data_[Tb20Tl8Ir8]
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
  Ir  2.2000  1.3500  0.7650
]
_symmetry_space_group_name_H-M [Cmce]
_cell_length_a [16.3734]
_cell_length_b [7.7207]
_cell_length_c [7.6176]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [64]
_chemical_formula_structural [Tb5(TlIr)2]
_chemical_formula_sum '[Tb20 Tl8 Ir8]'
_cell_volume [962.9665]
_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  0.1145  0.1685  0.6634  1.0
  Tb  Tb1  4  0.0000  0.0000  0.0000  1.0
  Tl  Tl2  8  0.2193  0.0000  0.0000  1.0
  Ir  Ir3  8  0.0000  0.1343  0.3637  1.0
]