data_[Ce4Zn20Au12]
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 [4.1548]
_cell_length_b [13.4823]
_cell_length_c [12.4157]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [63]
_chemical_formula_structural [CeZn5Au3]
_chemical_formula_sum '[Ce4 Zn20 Au12]'
_cell_volume [695.4778]
_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  0.1806  0.7500  1
  Zn  Zn1  8  0.0000  0.1938  0.0440  1
  Zn  Zn2  8  0.0000  0.4332  0.6437  1
  Zn  Zn3  4  0.0000  0.0000  0.0000  1
  Au  Au4  8  0.0000  0.3851  0.0736  1
  Au  Au5  4  0.0000  0.1414  0.2500  1
]