data_[Tb20Ho12Tl4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tb  1.1000  1.7500  0.9815
  Ho  1.2300  1.7500  1.0410
  Tl  1.6200  1.9000  1.3325
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [13.2599]
_cell_length_b [7.8626]
_cell_length_c [13.0412]
_cell_angle_alpha [90.0000]
_cell_angle_beta [117.3375]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Tb5Ho3Tl]
_chemical_formula_sum '[Tb20 Ho12 Tl4]'
_cell_volume [1207.7930]
_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  8  0.0396  0.2682  0.7595  1
  Tb  Tb1  4  0.0000  0.3296  0.0000  1
  Tb  Tb2  4  0.0868  0.0000  0.6141  1
  Tb  Tb3  4  0.2441  0.0000  0.9735  1
  Ho  Ho4  4  0.1709  0.5000  0.2477  1
  Ho  Ho5  4  0.2119  0.0000  0.4474  1
  Ho  Ho6  2  0.0000  0.0000  0.0000  1
  Ho  Ho7  2  0.0000  0.5000  0.5000  1
  Tl  Tl8  4  0.2472  0.0000  0.2280  1
]