data_[Ce2Al11Pd3]
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
  Pd  2.2000  1.4000  0.8462
]
_symmetry_space_group_name_H-M [P4mm]
_cell_length_a [4.2628]
_cell_length_b [4.2628]
_cell_length_c [16.8980]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [99]
_chemical_formula_structural [Ce2Al11Pd3]
_chemical_formula_sum '[Ce2 Al11 Pd3]'
_cell_volume [307.0587]
_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  0.5023  1.0
  Ce  Ce1  1  0.0000  0.0000  0.9988  1.0
  Al  Al2  2  0.0000  0.5000  0.1661  1.0
  Al  Al3  2  0.0000  0.5000  0.3384  1.0
  Al  Al4  2  0.0000  0.5000  0.6657  1.0
  Al  Al5  2  0.0000  0.5000  0.8341  1.0
  Al  Al6  1  0.5000  0.5000  0.0731  1.0
  Al  Al7  1  0.5000  0.5000  0.5686  1.0
  Al  Al8  1  0.5000  0.5000  0.9267  1.0
  Pd  Pd9  1  0.0000  0.0000  0.2483  1.0
  Pd  Pd10  1  0.0000  0.0000  0.7509  1.0
  Pd  Pd11  1  0.5000  0.5000  0.4226  1.0
]