data_[Al4Ag6Au8]
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 [C2/m]
_cell_length_a [8.0438]
_cell_length_b [4.5086]
_cell_length_c [8.6622]
_cell_angle_alpha [90.0000]
_cell_angle_beta [92.6967]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Al2Ag3Au4]
_chemical_formula_sum '[Al4 Ag6 Au8]'
_cell_volume [313.7979]
_cell_formula_units_Z [2]
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  0.1656  0.5000  0.2050  1.0
  Ag  Ag1  4  0.1654  0.5000  0.5347  1.0
  Ag  Ag2  2  0.0000  0.0000  0.0000  1.0
  Au  Au3  4  0.0019  0.0000  0.3266  1.0
  Au  Au4  4  0.1683  0.5000  0.8700  1.0
]