 P Ca Cd
   1.0
     4.2472255900000002    0.0000000000000000    0.0000000000000000
    -2.1236127900000001    3.6782052500000000    0.0000000000000000
     0.0000000000000000    0.0000000000000000    6.9041262400000001
 P Ca Cd
   2   1   2
Direct
   0.6666666700000000  0.3333333300000000  0.2372600600000000
   0.3333333300000000  0.6666666700000000  0.7627399400000000
   0.0000000000000000  0.0000000000000000  0.0000000000000000
   0.3333333300000000  0.6666666700000000  0.3618147500000000
   0.6666666700000000  0.3333333300000000  0.6381852500000000