data_[Ce4Pd2Au12]
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 [C2/m]
_cell_length_a [14.4821]
_cell_length_b [4.0041]
_cell_length_c [6.7379]
_cell_angle_alpha [90.0000]
_cell_angle_beta [91.8498]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Ce2PdAu6]
_chemical_formula_sum '[Ce4 Pd2 Au12]'
_cell_volume [390.5148]
_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  0.0961  0.0000  0.2491  1
  Pd  Pd1  2  0.0000  0.5000  0.5000  1
  Au  Au2  4  0.0785  0.5000  0.8874  1
  Au  Au3  4  0.1865  0.5000  0.5548  1
  Au  Au4  4  0.2403  0.0000  0.8520  1
]