 P Cd Ba
   1.0
     4.3753158399999998    0.0000000000000000    0.0000000000000000
    -2.1876579199999999    3.7891346600000002    0.0000000000000000
     0.0000000000000000    0.0000000000000000    7.4815489800000003
 P Cd Ba
   2   2   1
Direct
   0.3333333300000000  0.6666666700000000  0.2657990300000000
   0.6666666700000000  0.3333333300000000  0.7342009700000001
   0.3333333300000000  0.6666666700000000  0.6309689500000000
   0.6666666700000000  0.3333333300000000  0.3690310500000000
   0.0000000000000000  0.0000000000000000  0.0000000000000000