 H Ba Re
   1.0
     5.0663133100000000    0.0000000000000000    0.0000000000000000
    -2.5331566500000000    4.3875560299999998    0.0000000000000000
     0.0000000000000000    0.0000000000000000    9.4850891100000005
 H Ba Re
  18   2   2
Direct
   0.4717638300000000  0.9435276700000000  0.6236695999999999
   0.4717638300000000  0.5282361700000000  0.6236695999999999
   0.0564723300000000  0.5282361700000000  0.6236695999999999
   0.9435276700000000  0.4717638300000000  0.1236696000000000
   0.1432052400000000  0.8567947600000000  0.7500000000000000
   0.8567947600000000  0.7135895300000000  0.2500000000000000
   0.2864104700000000  0.1432052400000000  0.2500000000000000
   0.7135895300000000  0.8567947600000000  0.7500000000000000
   0.1432052400000000  0.2864104700000000  0.7500000000000000
   0.8567947600000000  0.1432052400000000  0.2500000000000000
   0.4717638300000000  0.5282361700000000  0.8763304000000000
   0.5282361700000000  0.0564723300000000  0.3763304000000000
   0.9435276700000000  0.4717638300000000  0.3763304000000000
   0.0564723300000000  0.5282361700000000  0.8763304000000000
   0.4717638300000000  0.9435276700000000  0.8763304000000000
   0.5282361700000000  0.4717638300000000  0.1236696000000000
   0.5282361700000000  0.0564723300000000  0.1236696000000000
   0.5282361700000000  0.4717638300000000  0.3763304000000000
   0.0000000000000000  0.0000000000000000  0.0000000000000000
   0.0000000000000000  0.0000000000000000  0.5000000000000000
   0.3333333300000000  0.6666666700000000  0.7500000000000000
   0.6666666700000000  0.3333333300000000  0.2500000000000000