 Mg As Ba
   1.0
     4.4713398399999997    0.0000000000000000    0.0000000000000000
    -2.2356699299999998    3.8722938899999999    0.0000000000000000
     0.0000000000000000    0.0000000000000000    7.6722226600000001
 Mg As Ba
   2   2   1
Direct
   0.6666666700000000  0.3333333300000000  0.3761659700000000
   0.3333333300000000  0.6666666700000000  0.6238340300000000
   0.6666666700000000  0.3333333300000000  0.7288104500000000
   0.3333333300000000  0.6666666700000000  0.2711895500000000
   0.0000000000000000  0.0000000000000000  0.0000000000000000