data_[Tb20Ho12Ru8]
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
  Ru  2.2000  1.3000  0.6610
]
_symmetry_space_group_name_H-M [Ibam]
_cell_length_a [12.1593]
_cell_length_b [14.1291]
_cell_length_c [6.6707]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [72]
_chemical_formula_structural [Tb5Ho3Ru2]
_chemical_formula_sum '[Tb20 Ho12 Ru8]'
_cell_volume [1146.0317]
_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  0.0000  0.2748  0.2500  1
  Tb  Tb1  8  0.2167  0.4386  0.5000  1
  Tb  Tb2  4  0.0000  0.5000  0.2500  1
  Ho  Ho3  8  0.2407  0.1848  0.5000  1
  Ho  Ho4  4  0.0000  0.0000  0.2500  1
  Ru  Ru5  8  0.1070  0.1567  0.0000  1
]