data_Al2Au
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.55
_cell_length_b   5.55
_cell_length_c   8.45
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Al2Au
_chemical_formula_sum   'Al8 Au4'
_cell_volume   225.62
_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  1  0.0  0.0  0.23  1.0
  Al  Al1  1  0.0  0.0  0.0  1.0
  Al  Al2  1  0.4  0.01  0.34  1.0
  Al  Al3  1  0.38  0.79  0.11  1.0
  Al  Al4  1  0.6  0.01  0.34  1.0
  Al  Al5  1  0.0  0.59  0.34  1.0
  Al  Al6  1  0.78  0.22  0.11  1.0
  Al  Al7  1  0.18  0.79  0.11  1.0
  Au  Au8  1  0.78  0.6  0.21  1.0
  Au  Au9  1  0.0  0.2  0.43  1.0
  Au  Au10  1  0.0  0.2  0.25  1.0
  Au  Au11  1  0.78  0.6  0.02  1.0

data_Al2Au
_symmetry_space_group_name_H-M   P1
_cell_length_a   5.55
_cell_length_b   5.55
_cell_length_c   8.45
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Al2Au
_chemical_formula_sum   'Al8 Au4'
_cell_volume   225.62
_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  1  0.0  0.0  0.0  1.0
  Al  Al1  1  0.0  0.0  0.23  1.0
  Al  Al2  1  0.0  0.59  0.34  1.0
  Al  Al3  1  0.18  0.79  0.11  1.0
  Al  Al4  1  0.38  0.79  0.11  1.0
  Al  Al5  1  0.4  0.01  0.34  1.0
  Al  Al6  1  0.6  0.01  0.34  1.0
  Al  Al7  1  0.78  0.22  0.11  1.0
  Au  Au8  1  0.0  0.2  0.25  1.0
  Au  Au9  1  0.0  0.2  0.43  1.0
  Au  Au10  1  0.78  0.6  0.02  1.0
  Au  Au11  1  0.78  0.6  0.21  1.0

Al Al Al Al Al Al Al Al Au Au Au Au