data_[Ce6Al18Pd4]
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 [Immm]
_cell_length_a [4.3829]
_cell_length_b [9.9604]
_cell_length_c [12.5701]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [71]
_chemical_formula_structural [Ce3Al9Pd2]
_chemical_formula_sum '[Ce6 Al18 Pd4]'
_cell_volume [548.7534]
_cell_formula_units_Z [2]
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  4  0.0000  0.0000  0.3081  1.0
  Ce  Ce1  2  0.0000  0.0000  0.0000  1.0
  Al  Al2  8  0.0000  0.2799  0.1270  1.0
  Al  Al3  8  0.0000  0.3662  0.3392  1.0
  Al  Al4  2  0.0000  0.5000  0.0000  1.0
  Pd  Pd5  4  0.0000  0.2078  0.5000  1.0
]