LOBSTER                                 
           1
     5.694625    0.000000    0.000000
     0.000000    5.694625    0.000000
     0.000000    0.000000    5.694625
   Na   Cl
   4   4
Direct configuration=     1
   0.50000000  0.00000000  0.50000000
   0.00000000  0.50000000  0.50000000
   0.50000000  0.50000000  0.00000000
   0.00000000  0.00000000  0.00000000
   0.50000000  0.50000000  0.50000000
   0.00000000  0.00000000  0.50000000
   0.50000000  0.00000000  0.00000000
   0.00000000  0.50000000  0.00000000
