data_[Al4Si4Au4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Al  1.6100  1.2500  0.6750
  Si  1.9000  1.1000  0.5400
  Au  2.5400  1.3500  1.0700
]
_symmetry_space_group_name_H-M [Imm2]
_cell_length_a [2.7677]
_cell_length_b [3.8050]
_cell_length_c [21.4537]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [44]
_chemical_formula_structural [AlSiAu]
_chemical_formula_sum '[Al4 Si4 Au4]'
_cell_volume [225.9347]
_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  2  0.0000  0.0000  0.8548  1
  Al  Al1  2  0.0000  0.5000  0.6863  1
  Si  Si2  2  0.0000  0.0000  0.0851  1
  Si  Si3  2  0.0000  0.5000  0.0213  1
  Au  Au4  2  0.0000  0.0000  0.4196  1
  Au  Au5  2  0.0000  0.5000  0.2466  1
]