data_[Al4Cd4Au12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Al  1.6100  1.2500  0.6750
  Cd  1.6900  1.5500  1.0900
  Au  2.5400  1.3500  1.0700
]
_symmetry_space_group_name_H-M [P2_1/c]
_cell_length_a [7.3482]
_cell_length_b [6.9177]
_cell_length_c [7.7249]
_cell_angle_alpha [90.0000]
_cell_angle_beta [100.6500]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [AlCdAu3]
_chemical_formula_sum '[Al4 Cd4 Au12]'
_cell_volume [385.9179]
_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
[
  Al  Al0  4  0.0619  0.7373  0.8458  1.0
  Cd  Cd1  4  0.3713  0.0581  0.7887  1.0
  Au  Au2  4  0.1459  0.1387  0.4359  1.0
  Au  Au3  4  0.2041  0.5225  0.6055  1.0
  Au  Au4  4  0.4121  0.6820  0.9641  1.0
]