data_[Al4Ag4Au12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Al  1.6100  1.2500  0.6750
  Ag  1.9300  1.6000  1.0867
  Au  2.5400  1.3500  1.0700
]
_symmetry_space_group_name_H-M [P2_1/c]
_cell_length_a [7.2360]
_cell_length_b [6.7161]
_cell_length_c [8.0336]
_cell_angle_alpha [90.0000]
_cell_angle_beta [109.1496]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [AlAgAu3]
_chemical_formula_sum '[Al4 Ag4 Au12]'
_cell_volume [368.8124]
_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  0.0665  0.7067  0.4247  1.0
  Ag  Ag1  4  0.2865  0.0275  0.7697  1.0
  Au  Au2  4  0.1175  0.1046  0.3981  1.0
  Au  Au3  4  0.2979  0.0461  0.1403  1.0
  Au  Au4  4  0.4348  0.6946  0.0064  1.0
]