data_[Ce8B16Ir20]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ce  1.1200  1.8500  1.0800
  B  2.0400  0.8500  0.4100
  Ir  2.2000  1.3500  0.7650
]
_symmetry_space_group_name_H-M [Fmmm]
_cell_length_a [5.5393]
_cell_length_b [9.9907]
_cell_length_c [11.3794]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [69]
_chemical_formula_structural [Ce2B4Ir5]
_chemical_formula_sum '[Ce8 B16 Ir20]'
_cell_volume [629.7580]
_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
[
  Ce  Ce0  8  0.0000  0.0000  0.1381  1.0
  B  B1  16  0.0000  0.1565  0.3672  1.0
  Ir  Ir2  8  0.2500  0.2500  0.0000  1.0
  Ir  Ir3  8  0.2500  0.2500  0.2500  1.0
  Ir  Ir4  4  0.0000  0.0000  0.5000  1.0
]