 O Si Ba
   1.0
     4.5725813300000002    0.0000000000000000    0.0000000000000000
     0.0000000000000000    5.6049747300000003    0.0000000000000000
     0.0000000000000000    0.0000000000000000   12.5125483800000001
 O Si Ba
  12   4   4
Direct
   0.2407277900000000  0.5825186700000000  0.4068073900000000
   0.7407277900000000  0.9174813300000000  0.5931926100000000
   0.7592722100000000  0.0825186700000000  0.0931926100000000
   0.2592722100000000  0.4174813300000000  0.9068073900000000
   0.2454718500000000  0.1172874200000000  0.3316787200000000
   0.7454718499999999  0.3827125800000000  0.6683212800000000
   0.7545281500000001  0.6172874200000000  0.1683212800000000
   0.2545281500000000  0.8827125800000000  0.8316787200000000
   0.6810813800000000  0.7193291600000000  0.9555477700000000
   0.1810813800000000  0.7806708400000000  0.0444522300000000
   0.3189186200000000  0.2193291600000000  0.5444522300000000
   0.8189186200000000  0.2806708400000000  0.4555477700000000
   0.1765214300000000  0.3028939700000000  0.4266701800000000
   0.6765214300000000  0.1971060300000000  0.5733298200000000
   0.8234785700000000  0.8028939700000000  0.0733298200000000
   0.3234785700000000  0.6971060300000000  0.9266701800000000
   0.7295419300000000  0.8160697000000000  0.3584622400000000
   0.2295419300000000  0.6839303000000000  0.6415377600000001
   0.2704580700000000  0.3160697000000000  0.1415377600000000
   0.7704580700000000  0.1839303000000000  0.8584622399999999