 H Ba
   1.0
     6.6337127400000000    0.0000000000000000    0.0000000000000000
     0.0000000000000000    4.1057752000000001    0.0000000000000000
     0.0000000000000000    0.0000000000000000    7.7220372199999998
 H Ba
   8   4
Direct
   0.5280227000000000  0.2500000000000000  0.6869349000000000
   0.4719773000000000  0.7500000000000000  0.3130651000000000
   0.0280227000000000  0.2500000000000000  0.8130651000000000
   0.9719773000000000  0.7500000000000000  0.1869349000000000
   0.3518031100000000  0.7500000000000000  0.9284240700000000
   0.6481968900000000  0.2500000000000000  0.0715759300000000
   0.8518031100000000  0.7500000000000000  0.5715759300000001
   0.1481968900000000  0.2500000000000000  0.4284240700000000
   0.7596400900000000  0.2500000000000000  0.3880937200000000
   0.2403599100000000  0.7500000000000000  0.6119062800000000
   0.2596400900000000  0.2500000000000000  0.1119062800000000
   0.7403599100000000  0.7500000000000000  0.8880937200000000