data_[Tb16Cd4Ir8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tb  1.1000  1.7500  0.9815
  Cd  1.6900  1.5500  1.0900
  Ir  2.2000  1.3500  0.7650
]
_symmetry_space_group_name_H-M [Cc]
_cell_length_a [8.5711]
_cell_length_b [14.9679]
_cell_length_c [6.9407]
_cell_angle_alpha [90.0000]
_cell_angle_beta [128.1099]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [9]
_chemical_formula_structural [Tb4CdIr2]
_chemical_formula_sum '[Tb16 Cd4 Ir8]'
_cell_volume [700.6136]
_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  0.0887  0.7106  0.7732  1.0
  Tb  Tb1  4  0.2498  0.2730  0.9192  1.0
  Tb  Tb2  4  0.3211  0.4952  0.5518  1.0
  Tb  Tb3  4  0.3247  0.0694  0.2418  1.0
  Cd  Cd4  4  0.1525  0.1171  0.5656  1.0
  Ir  Ir5  4  0.0340  0.4080  0.5608  1.0
  Ir  Ir6  4  0.4533  0.3469  0.3875  1.0
]