 Cd H O
   1.0
     3.5143107800000002    0.0000000000000000    0.0000000000000000
    -1.7571553799999999    3.0434823999999998    0.0000000000000000
     0.0000000000000000    0.0000000000000000    4.5590408699999996
 Cd H O
   1   2   2
Direct
   0.0000000000000000  0.0000000000000000  0.0000000000000000
   0.6666666700000000  0.3333333300000000  0.4568944300000000
   0.3333333300000000  0.6666666700000000  0.5431055700000000
   0.6666666700000000  0.3333333300000000  0.2416862200000000
   0.3333333300000000  0.6666666700000000  0.7583137799999999