data_[Ce8Cu8Au12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ce  1.1200  1.8500  1.0800
  Cu  1.9000  1.3500  0.8200
  Au  2.5400  1.3500  1.0700
]
_symmetry_space_group_name_H-M [Cmcm]
_cell_length_a [4.0225]
_cell_length_b [19.2363]
_cell_length_c [7.6781]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [63]
_chemical_formula_structural [Ce2Cu2Au3]
_chemical_formula_sum '[Ce8 Cu8 Au12]'
_cell_volume [594.1207]
_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  4  0.0000  0.0585  0.2500  1
  Ce  Ce1  4  0.0000  0.1635  0.7500  1
  Cu  Cu2  8  0.0000  0.3001  0.5348  1
  Au  Au3  8  0.0000  0.4330  0.0627  1
  Au  Au4  4  0.0000  0.2163  0.2500  1
]