data_[Ce2Pd12Au12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ce  1.1200  1.8500  1.0800
  Pd  2.2000  1.4000  0.8462
  Au  2.5400  1.3500  1.0700
]
_symmetry_space_group_name_H-M [Immm]
_cell_length_a [5.4826]
_cell_length_b [9.2537]
_cell_length_c [9.3416]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [71]
_chemical_formula_structural [Ce(PdAu)6]
_chemical_formula_sum '[Ce2 Pd12 Au12]'
_cell_volume [473.9419]
_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
  Pd  Pd1  8  0.2500  0.2500  0.2500  1
  Pd  Pd2  4  0.0000  0.2709  0.5000  1
  Au  Au3  4  0.0000  0.0000  0.3456  1
  Au  Au4  4  0.0000  0.3389  0.0000  1
  Au  Au5  4  0.0000  0.5000  0.3028  1
]