data_[Tb20Tl8Bi4]
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
  Bi  2.0200  1.6000  1.0350
]
_symmetry_space_group_name_H-M [I4/mcm]
_cell_length_a [8.5335]
_cell_length_b [8.5335]
_cell_length_c [13.0545]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [140]
_chemical_formula_structural [Tb5Tl2Bi]
_chemical_formula_sum '[Tb20 Tl8 Bi4]'
_cell_volume [950.6277]
_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  0.1516  0.3484  0.6493  1.0
  Tb  Tb1  4  0.0000  0.0000  0.0000  1.0
  Tl  Tl2  8  0.1495  0.6495  0.5000  1.0
  Bi  Bi3  4  0.0000  0.0000  0.2500  1.0
]