data_[Ce4Al16Ir4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ce  1.1200  1.8500  1.0800
  Al  1.6100  1.2500  0.6750
  Ir  2.2000  1.3500  0.7650
]
_symmetry_space_group_name_H-M [Cmcm]
_cell_length_a [4.2658]
_cell_length_b [16.3174]
_cell_length_c [6.7396]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [63]
_chemical_formula_structural [CeAl4Ir]
_chemical_formula_sum '[Ce4 Al16 Ir4]'
_cell_volume [469.1219]
_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  4  0.0000  0.3847  0.7500  1
  Al  Al1  8  0.0000  0.1896  0.5531  1
  Al  Al2  4  0.0000  0.0000  0.0000  1
  Al  Al3  4  0.0000  0.4265  0.2500  1
  Ir  Ir4  4  0.0000  0.2781  0.2500  1
]