data_[Ce12Zn8Au12]
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
  Au  2.5400  1.3500  1.0700
]
_symmetry_space_group_name_H-M [Cmcm]
_cell_length_a [4.5822]
_cell_length_b [10.8871]
_cell_length_c [14.9726]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [63]
_chemical_formula_structural [Ce3Zn2Au3]
_chemical_formula_sum '[Ce12 Zn8 Au12]'
_cell_volume [746.9344]
_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  0.0000  0.0853  0.6021  1.0
  Ce  Ce1  4  0.0000  0.3592  0.7500  1.0
  Zn  Zn2  8  0.0000  0.2124  0.0992  1.0
  Au  Au3  8  0.0000  0.3847  0.5457  1.0
  Au  Au4  4  0.0000  0.3526  0.2500  1.0
]