 Ba H Ir
   1.0
     5.4133092700000001    0.0000000000000000    0.0000000000000000
    -2.7066546300000001    4.6880633500000002    0.0000000000000000
     0.0000000000000000    0.0000000000000000    8.6223654199999995
 Ba H Ir
   3  12   2
Direct
   0.0000000000000000  0.0000000000000000  0.0000000000000000
   0.3333333300000000  0.6666666700000000  0.6413106300000000
   0.6666666700000000  0.3333333300000000  0.3586893700000000
   0.3660547700000000  0.1830273900000000  0.6548296100000000
   0.8169726100000000  0.1830273900000000  0.6548296100000000
   0.8169726100000000  0.6339452300000000  0.6548296100000000
   0.6339452300000000  0.8169726100000000  0.3451703900000000
   0.1830273900000000  0.8169726100000000  0.3451703900000000
   0.1830273900000000  0.3660547700000000  0.3451703900000000
   0.4744915500000000  0.9489831000000000  0.1190784000000000
   0.0510169000000000  0.5255084500000000  0.1190784000000000
   0.4744915500000000  0.5255084500000000  0.1190784000000000
   0.5255084500000000  0.0510169000000000  0.8809216000000000
   0.9489831000000000  0.4744915500000000  0.8809216000000000
   0.5255084500000000  0.4744915500000000  0.8809216000000000
   0.3333333300000000  0.6666666700000000  0.2361944600000000
   0.6666666700000000  0.3333333300000000  0.7638055400000000