data_[Ce3Y1Al8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ce  1.1200  1.8500  1.0800
  Y  1.2200  1.8000  1.0400
  Al  1.6100  1.2500  0.6750
]
_symmetry_space_group_name_H-M [P3m1]
_cell_length_a [5.6198]
_cell_length_b [5.6198]
_cell_length_c [9.0696]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [156]
_chemical_formula_structural [Ce3YAl8]
_chemical_formula_sum '[Ce3 Y1 Al8]'
_cell_volume [248.0654]
_cell_formula_units_Z [1]
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  1  0.0000  0.0000  0.9342  1
  Ce  Ce1  1  0.6667  0.3333  0.0865  1
  Ce  Ce2  1  0.6667  0.3333  0.4134  1
  Y  Y3  1  0.0000  0.0000  0.5704  1
  Al  Al4  3  0.1618  0.3235  0.2512  1
  Al  Al5  3  0.5048  0.0095  0.7483  1
  Al  Al6  1  0.3333  0.6667  0.4985  1
  Al  Al7  1  0.3333  0.6667  0.9985  1
]