 O Al Au
   1.0
     2.8971492500000000    0.0000000000000000    0.0000000000000000
    -1.4485746200000000    2.5090048399999998    0.0000000000000000
     0.0000000000000000    0.0000000000000000   12.1835991999999997
 O Al Au
   4   2   2
Direct
   0.3333333300000000  0.6666666700000000  0.5776837300000000
   0.6666666700000000  0.3333333300000000  0.0776837300000000
   0.3333333300000000  0.6666666700000000  0.9223162700000000
   0.6666666700000000  0.3333333300000000  0.4223162700000000
   0.0000000000000000  0.0000000000000000  0.0000000000000000
   0.0000000000000000  0.0000000000000000  0.5000000000000000
   0.6666666700000000  0.3333333300000000  0.2500000000000000
   0.3333333300000000  0.6666666700000000  0.7500000000000000