data_[Ce8Be4Al4Ir8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ce  1.1200  1.8500  1.0800
  Be  1.5700  1.0500  0.5900
  Al  1.6100  1.2500  0.6750
  Ir  2.2000  1.3500  0.7650
]
_symmetry_space_group_name_H-M [Ibam]
_cell_length_a [5.2926]
_cell_length_b [13.9199]
_cell_length_c [6.2515]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [72]
_chemical_formula_structural [Ce2BeAlIr2]
_chemical_formula_sum '[Ce8 Be4 Al4 Ir8]'
_cell_volume [460.5670]
_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  0.2449  0.3361  0.0000  1
  Be  Be1  4  0.0000  0.5000  0.2500  1
  Al  Al2  4  0.0000  0.0000  0.2500  1
  Ir  Ir3  8  0.2406  0.3900  0.5000  1
]