data_[Ce8Al20Ag12]
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
  Ag  1.9300  1.6000  1.0867
]
_symmetry_space_group_name_H-M [Ibam]
_cell_length_a [10.6696]
_cell_length_b [12.3037]
_cell_length_c [6.1035]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [72]
_chemical_formula_structural [Ce2Al5Ag3]
_chemical_formula_sum '[Ce8 Al20 Ag12]'
_cell_volume [801.2470]
_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  0.2358  0.3693  0.0000  1.0
  Al  Al1  8  0.0000  0.2316  0.2500  1.0
  Al  Al2  8  0.1501  0.1134  0.0000  1.0
  Al  Al3  4  0.0000  0.5000  0.2500  1.0
  Ag  Ag4  8  0.1179  0.3672  0.5000  1.0
  Ag  Ag5  4  0.0000  0.0000  0.2500  1.0
]