 O Sc Rb
   1.0
     3.2506789800000000    0.0000000000000000    0.0000000000000000
    -1.6253394900000000    2.8151705800000002    0.0000000000000000
     0.0000000000000000    0.0000000000000000   12.7448332200000003
 O Sc Rb
   4   2   2
Direct
   0.3333333300000000  0.6666666700000000  0.5838010400000000
   0.6666666700000000  0.3333333300000000  0.0838010400000000
   0.3333333300000000  0.6666666700000000  0.9161989600000000
   0.6666666700000000  0.3333333300000000  0.4161989600000000
   0.0000000000000000  0.0000000000000000  0.0000000000000000
   0.0000000000000000  0.0000000000000000  0.5000000000000000
   0.3333333300000000  0.6666666700000000  0.2500000000000000
   0.6666666700000000  0.3333333300000000  0.7500000000000000