data_[Ce2Al7Au12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ce  1.1200  1.8500  1.0800
  Al  1.6100  1.2500  0.6750
  Au  2.5400  1.3500  1.0700
]
_symmetry_space_group_name_H-M [P-3]
_cell_length_a [10.4438]
_cell_length_b [10.4438]
_cell_length_c [4.2743]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [147]
_chemical_formula_structural [Ce2Al7Au12]
_chemical_formula_sum '[Ce2 Al7 Au12]'
_cell_volume [403.7483]
_cell_formula_units_Z [1]
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  2  0.3333  0.6667  0.2433  1
  Al  Al1  6  0.1023  0.3958  0.7358  1
  Al  Al2  1  0.0000  0.0000  0.5000  1
  Au  Au3  6  0.0775  0.6248  0.7541  1
  Au  Au4  6  0.1307  0.8686  0.2324  1
]