data_[Ce2Al16Pd4]
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 [C2/m]
_cell_length_a [11.5207]
_cell_length_b [4.4618]
_cell_length_c [9.1996]
_cell_angle_alpha [90.0000]
_cell_angle_beta [123.2052]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Ce(Al4Pd)2]
_chemical_formula_sum '[Ce2 Al16 Pd4]'
_cell_volume [395.6693]
_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  2  0.0000  0.0000  0.0000  1
  Al  Al1  4  0.0697  0.0000  0.4159  1
  Al  Al2  4  0.1230  0.5000  0.2986  1
  Al  Al3  4  0.1600  0.5000  0.8969  1
  Al  Al4  4  0.2021  0.5000  0.6295  1
  Pd  Pd5  4  0.1929  0.0000  0.7686  1
]