data_[Ce3Be6Al3Au12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ce  1.1200  1.8500  1.0800
  Be  1.5700  1.0500  0.5900
  Al  1.6100  1.2500  0.6750
  Au  2.5400  1.3500  1.0700
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [4.2366]
_cell_length_b [4.2366]
_cell_length_c [27.3075]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [166]
_chemical_formula_structural [CeBe2AlAu4]
_chemical_formula_sum '[Ce3 Be6 Al3 Au12]'
_cell_volume [424.4720]
_cell_formula_units_Z [3]
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  3  0.0000  0.0000  0.0000  1
  Be  Be1  6  0.0000  0.0000  0.2386  1
  Al  Al2  3  -0.0000  -0.0000  0.5000  1
  Au  Au3  6  0.0000  0.0000  0.1277  1
  Au  Au4  6  0.0000  0.0000  0.4006  1
]