data_[Ce24Si4Ir8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ce  1.1200  1.8500  1.0800
  Si  1.9000  1.1000  0.5400
  Ir  2.2000  1.3500  0.7650
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [15.2906]
_cell_length_b [9.6084]
_cell_length_c [5.8983]
_cell_angle_alpha [90.0000]
_cell_angle_beta [100.1256]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [Ce6SiIr2]
_chemical_formula_sum '[Ce24 Si4 Ir8]'
_cell_volume [853.0751]
_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  0.0792  0.3923  0.1482  1.0
  Ce  Ce1  8  0.0901  0.1017  0.2153  1.0
  Ce  Ce2  8  0.1874  0.2498  0.7171  1.0
  Si  Si3  4  0.0000  0.1874  0.7500  1.0
  Ir  Ir4  8  0.2437  0.4955  0.9825  1.0
]