data_[Ba20Cd8Ir4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ba  0.8900  2.1500  1.4900
  Cd  1.6900  1.5500  1.0900
  Ir  2.2000  1.3500  0.7650
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [20.6494]
_cell_length_b [7.6529]
_cell_length_c [9.1844]
_cell_angle_alpha [90.0000]
_cell_angle_beta [97.3623]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [Ba5Cd2Ir]
_chemical_formula_sum '[Ba20 Cd8 Ir4]'
_cell_volume [1439.4149]
_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
[
  Ba  Ba0  8  0.1079  0.3609  0.4348  1
  Ba  Ba1  8  0.2211  0.0828  0.8062  1
  Ba  Ba2  4  0.0000  0.1014  0.7500  1
  Cd  Cd3  8  0.1046  0.1830  0.0721  1
  Ir  Ir4  4  0.2500  0.2500  0.5000  1
]