data_[Tb20Ge4Ru8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tb  1.1000  1.7500  0.9815
  Ge  2.0100  1.2500  0.7700
  Ru  2.2000  1.3000  0.6610
]
_symmetry_space_group_name_H-M [I4/mcm]
_cell_length_a [7.6570]
_cell_length_b [7.6570]
_cell_length_c [13.2339]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [140]
_chemical_formula_structural [Tb5GeRu2]
_chemical_formula_sum '[Tb20 Ge4 Ru8]'
_cell_volume [775.8892]
_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  0.1618  0.3382  0.1392  1
  Tb  Tb1  4  0.0000  0.0000  0.0000  1
  Ge  Ge2  4  0.0000  0.0000  0.2500  1
  Ru  Ru3  8  0.1378  0.3622  0.5000  1
]