 Si S Ba
   1.0
     8.8698516499999993    0.0000000000000000    0.0000000000000000
     0.0000000000000000    6.7125800299999998    0.0000000000000000
     0.0000000000000000    0.0000000000000000   12.0550226100000000
 Si S Ba
   4  16   8
Direct
   0.7312697400000000  0.7500000000000000  0.5767707900000000
   0.2312697400000000  0.7500000000000000  0.9232292100000000
   0.7687302600000000  0.2500000000000000  0.0767707900000000
   0.2687302600000000  0.2500000000000000  0.4232292100000000
   0.3248989100000000  0.4918849800000000  0.8514861000000000
   0.6751010900000001  0.9918849800000000  0.1485139000000000
   0.8248989100000000  0.0081150200000000  0.6485139000000000
   0.1751010900000000  0.5081150200000000  0.3514861000000000
   0.8248989100000000  0.4918849800000000  0.6485139000000000
   0.6751010900000001  0.5081150200000000  0.1485139000000000
   0.1751010900000000  0.9918849800000000  0.3514861000000000
   0.3248989100000000  0.0081150200000000  0.8514861000000000
   0.5058874099999999  0.2500000000000000  0.4032378000000000
   0.4941125900000000  0.7500000000000000  0.5967622000000000
   0.0058874100000000  0.2500000000000000  0.0967622000000000
   0.9941125900000000  0.7500000000000000  0.9032378000000000
   0.1873231700000000  0.2500000000000000  0.5893667200000000
   0.8126768300000000  0.7500000000000000  0.4106332800000000
   0.6873231700000000  0.2500000000000000  0.9106332800000000
   0.3126768300000000  0.7500000000000000  0.0893667200000000
   0.9814826000000000  0.7500000000000000  0.1698995600000000
   0.0185174000000000  0.2500000000000000  0.8301004400000001
   0.4814826000000000  0.7500000000000000  0.3301004400000000
   0.5185174000000000  0.2500000000000000  0.6698995599999999
   0.6297031000000000  0.7500000000000000  0.9164712000000000
   0.3702969000000000  0.2500000000000000  0.0835288000000000
   0.1297031000000000  0.7500000000000000  0.5835288000000001
   0.8702969000000000  0.2500000000000000  0.4164712000000000