data_[Sr12Al12Au8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sr  0.9500  2.0000  1.3200
  Al  1.6100  1.2500  0.6750
  Au  2.5400  1.3500  1.0700
]
_symmetry_space_group_name_H-M [Cmcm]
_cell_length_a [4.4600]
_cell_length_b [11.6986]
_cell_length_c [16.5917]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [63]
_chemical_formula_structural [Sr3Al3Au2]
_chemical_formula_sum '[Sr12 Al12 Au8]'
_cell_volume [865.6800]
_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
[
  Sr  Sr0  8  0.0000  0.0515  0.6084  1.0
  Sr  Sr1  4  0.0000  0.3522  0.7500  1.0
  Al  Al2  8  0.0000  0.3247  0.5333  1.0
  Al  Al3  4  0.0000  0.3480  0.2500  1.0
  Au  Au4  8  0.0000  0.2343  0.1114  1.0
]