data_[Tb12Cd3Ag6Ir3]
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
  Ag  1.9300  1.6000  1.0867
  Ir  2.2000  1.3500  0.7650
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [5.1276]
_cell_length_b [5.1276]
_cell_length_c [25.0359]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [166]
_chemical_formula_structural [Tb4CdAg2Ir]
_chemical_formula_sum '[Tb12 Cd3 Ag6 Ir3]'
_cell_volume [570.0628]
_cell_formula_units_Z [3]
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  6  0.0000  0.0000  0.1325  1.0
  Tb  Tb1  6  0.0000  0.0000  0.3854  1.0
  Cd  Cd2  3  0.0000  0.0000  0.0000  1.0
  Ag  Ag3  6  0.0000  0.0000  0.2599  1.0
  Ir  Ir4  3  -0.0000  -0.0000  0.5000  1.0
]