data_[Tb16Ir4Ru8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tb  1.1000  1.7500  0.9815
  Ir  2.2000  1.3500  0.7650
  Ru  2.2000  1.3000  0.6610
]
_symmetry_space_group_name_H-M [Cc]
_cell_length_a [8.7450]
_cell_length_b [12.6675]
_cell_length_c [6.7455]
_cell_angle_alpha [90.0000]
_cell_angle_beta [123.2168]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [9]
_chemical_formula_structural [Tb4IrRu2]
_chemical_formula_sum '[Tb16 Ir4 Ru8]'
_cell_volume [625.1465]
_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  4  0.0791  0.0343  0.3493  1
  Tb  Tb1  4  0.1975  0.4245  0.8499  1
  Tb  Tb2  4  0.2840  0.1872  0.1248  1
  Tb  Tb3  4  0.4670  0.1905  0.7418  1
  Ru  Ru4  4  0.0812  0.1814  0.6513  1
  Ir  Ir5  4  0.3578  0.3735  0.3785  1
  Ru  Ru6  4  0.4072  0.0022  0.4043  1
]