 Si Se Ba
   1.0
     6.8538110799999998    0.0000000000000000   -0.0630666300000000
     0.0000000000000000    6.9907500000000002    0.0000000000000000
    -2.9267432300000000    0.0000000000000000    8.6843973699999992
 Si Se Ba
   2   8   4
Direct
   0.3010295900000000  0.2500000000000000  0.2143679000000000
   0.6989704100000000  0.7500000000000000  0.7856320999999999
   0.5134930000000000  0.9927924299999999  0.2765129700000000
   0.4865070000000000  0.4927924300000000  0.7234870300000000
   0.8546430899999999  0.7500000000000000  0.0481703700000000
   0.1453569100000000  0.2500000000000000  0.9518296300000000
   0.9094842100000000  0.7500000000000000  0.6379818100000000
   0.0905157900000000  0.2500000000000000  0.3620181900000000
   0.5134930000000000  0.5072075700000001  0.2765129700000000
   0.4865070000000000  0.0072075700000000  0.7234870300000000
   0.7915896400000000  0.2500000000000000  0.5798134400000000
   0.2084103600000000  0.7500000000000000  0.4201865600000000
   0.7108176200000000  0.2500000000000000  0.0427152100000000
   0.2891823800000000  0.7500000000000000  0.9572847900000000