LiAu                                    
           1
     4.061635    0.000000    0.000000
     0.000000    4.061635    0.000000
     0.000000    0.000000    5.253981
   P 
   4
Direct configuration=     1
   0.00000000  0.00000000  0.70783650
   0.00000000  0.00000000  0.29216350
   0.50000000  0.50000000  0.20783650
   0.50000000  0.50000000  0.79216350
