data_[Ce8Zn160Ir16]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ce  1.1200  1.8500  1.0800
  Zn  1.6500  1.3500  0.8800
  Ir  2.2000  1.3500  0.7650
]
_symmetry_space_group_name_H-M [Fd-3m]
_cell_length_a [14.2883]
_cell_length_b [14.2883]
_cell_length_c [14.2883]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [227]
_chemical_formula_structural [Ce(Zn10Ir)2]
_chemical_formula_sum '[Ce8 Zn160 Ir16]'
_cell_volume [2917.0553]
_cell_formula_units_Z [8]
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  0.0000  1
  Zn  Zn1  96  0.0505  0.1845  0.3155  1
  Zn  Zn2  48  0.0000  0.0000  0.3616  1
  Zn  Zn3  16  0.1250  0.1250  0.1250  1
  Ir  Ir4  16  0.1250  0.1250  0.6250  1
]