data_[Ce3Y3Al6Pd6]
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
  Pd  2.2000  1.4000  0.8462
]
_symmetry_space_group_name_H-M [Pm]
_cell_length_a [7.2427]
_cell_length_b [4.1209]
_cell_length_c [12.3809]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.3007]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [6]
_chemical_formula_structural [CeY(AlPd)2]
_chemical_formula_sum '[Ce3 Y3 Al6 Pd6]'
_cell_volume [369.5187]
_cell_formula_units_Z [3]
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  0.0800  0.5000  0.4994  1.0
  Ce  Ce1  1  0.2107  0.5000  0.7896  1.0
  Ce  Ce2  1  0.5780  0.5000  0.0011  1.0
  Y  Y3  1  0.2086  0.5000  0.2088  1.0
  Y  Y4  1  0.7087  0.5000  0.7076  1.0
  Y  Y5  1  0.7097  0.5000  0.2923  1.0
  Al  Al6  1  0.2299  0.0000  0.0024  1.0
  Al  Al7  1  0.3851  0.0000  0.3793  1.0
  Al  Al8  1  0.3870  0.0000  0.6168  1.0
  Al  Al9  1  0.7335  0.0000  0.4991  1.0
  Al  Al10  1  0.8791  0.0000  0.8809  1.0
  Al  Al11  1  0.8826  0.0000  0.1208  1.0
  Pd  Pd12  1  0.0035  0.0000  0.3365  1.0
  Pd  Pd13  1  0.0070  0.0000  0.6652  1.0
  Pd  Pd14  1  0.4970  0.0000  0.8364  1.0
  Pd  Pd15  1  0.4990  0.5000  0.5000  1.0
  Pd  Pd16  1  0.5032  0.0000  0.1645  1.0
  Pd  Pd17  1  0.9972  0.5000  0.9993  1.0
]