 Ba Ca I
   1.0
     7.8561809900000004    0.0000000000000000   -0.0617144400000000
     0.0000000000000000    8.1512192999999993    0.0000000000000000
    -1.6001866600000001    0.0000000000000000    7.9941832799999997
 Ba Ca I
   2   2   8
Direct
   0.5000000000000000  0.7311056899999999  0.2500000000000000
   0.5000000000000000  0.2688943100000000  0.7500000000000000
   0.0000000000000000  0.1621997700000000  0.2500000000000000
   0.0000000000000000  0.8378002300000000  0.7500000000000000
   0.2487921700000000  0.4343548000000000  0.3967753400000000
   0.2508533600000000  0.0634553000000000  0.0128635700000000
   0.2487921700000000  0.5656452000000001  0.8967753400000000
   0.2508533600000000  0.9365447000000000  0.5128635699999999
   0.7491466400000000  0.0634553000000000  0.4871364300000000
   0.7512078300000000  0.4343548000000000  0.1032246600000000
   0.7491466400000000  0.9365447000000000  0.9871364300000000
   0.7512078300000000  0.5656452000000001  0.6032246600000000