data_[Ce8Zn20Pd12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ce  1.1200  1.8500  1.0800
  Zn  1.6500  1.3500  0.8800
  Pd  2.2000  1.4000  0.8462
]
_symmetry_space_group_name_H-M [Ibam]
_cell_length_a [10.9148]
_cell_length_b [11.8996]
_cell_length_c [5.9029]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [72]
_chemical_formula_structural [Ce2Zn5Pd3]
_chemical_formula_sum '[Ce8 Zn20 Pd12]'
_cell_volume [766.6749]
_cell_formula_units_Z [4]
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  8  0.2272  0.1264  0.0000  1.0
  Zn  Zn1  8  0.0000  0.2821  0.2500  1.0
  Zn  Zn2  8  0.1111  0.1431  0.5000  1.0
  Zn  Zn3  4  0.0000  0.5000  0.2500  1.0
  Pd  Pd4  8  0.1611  0.3906  0.0000  1.0
  Pd  Pd5  4  0.0000  0.0000  0.2500  1.0
]