 O Sc Au
   1.0
     3.2205604100000000    0.0000000000000000    0.0000000000000000
    -1.6102802000000001    2.7890871300000000    0.0000000000000000
     0.0000000000000000    0.0000000000000000   12.1054502100000008
 O Sc Au
   4   2   2
Direct
   0.3333333300000000  0.6666666700000000  0.4176140200000000
   0.6666666700000000  0.3333333300000000  0.9176140200000000
   0.3333333300000000  0.6666666700000000  0.0823859800000000
   0.6666666700000000  0.3333333300000000  0.5823859800000000
   0.0000000000000000  0.0000000000000000  0.0000000000000000
   0.0000000000000000  0.0000000000000000  0.5000000000000000
   0.6666666700000000  0.3333333300000000  0.7500000000000000
   0.3333333300000000  0.6666666700000000  0.2500000000000000