 Li N Ba Re
   1.0
     6.5089680999999997    0.0000000000000000    0.0511538500000000
     0.0000000000000000    5.9724724599999996    0.0000000000000000
    -2.4962954700000002    0.0000000000000000    6.9679130100000002
 Li N Ba Re
   2   8   4   2
Direct
   0.6567267900000000  0.2500000000000000  0.3588789200000000
   0.3432732100000000  0.7500000000000000  0.6411210800000000
   0.5310895600000001  0.4941889600000000  0.7356998500000000
   0.4689104400000000  0.9941889600000000  0.2643001500000000
   0.4689104400000000  0.5058110400000000  0.2643001500000000
   0.5310895600000001  0.0058110400000000  0.7356998500000000
   0.8820927300000000  0.2500000000000000  0.6321308800000001
   0.1179072700000000  0.7500000000000000  0.3678691200000000
   0.8744398700000000  0.2500000000000000  0.0388203800000000
   0.1255601300000000  0.7500000000000000  0.9611796200000000
   0.7355957000000000  0.7500000000000000  0.0555336500000000
   0.2644043000000000  0.2500000000000000  0.9444663500000000
   0.1946628100000000  0.2500000000000000  0.4232667300000000
   0.8053371900000000  0.7500000000000000  0.5767332700000001
   0.2913955600000000  0.7500000000000000  0.2128008600000000
   0.7086044400000000  0.2500000000000000  0.7871991400000000