 S Ba Hg
   1.0
     4.2146265200000004    0.0000000000000000    0.0000000000000000
     0.0000000000000000   14.2423770100000002    0.0000000000000000
     0.0000000000000000    0.0000000000000000    7.2861707400000002
 S Ba Hg
   8   4   4
Direct
   0.5000000000000000  0.5299665000000000  0.3926149800000000
   0.5000000000000000  0.4700335000000000  0.8926149800000001
   0.0000000000000000  0.2243922700000000  0.8865191300000000
   0.0000000000000000  0.7756077299999999  0.3865191300000000
   0.5000000000000000  0.2613596300000000  0.3960183500000000
   0.5000000000000000  0.9840304100000000  0.7305319500000000
   0.5000000000000000  0.0159695900000000  0.2305319500000000
   0.5000000000000000  0.7386403699999999  0.8960183500000000
   0.0000000000000000  0.8985036400000000  0.0041340800000000
   0.0000000000000000  0.6085934200000001  0.6834353500000000
   0.0000000000000000  0.1014963600000000  0.5041340800000000
   0.0000000000000000  0.3914065800000000  0.1834353500000000
   0.5000000000000000  0.3518454300000000  0.6664567900000000
   0.5000000000000000  0.6481545700000000  0.1664567900000000
   0.5000000000000000  0.1418626400000000  0.9966893700000000
   0.5000000000000000  0.8581373600000000  0.4966893700000000