Na1 Cl1
1.0
   0.00000000    2.80548028    2.80548028
   2.80548028    0.00000000    2.80548028
   2.80548028    2.80548028    0.00000000
Na Cl
1 1
direct
   0.50000000    0.50000000    0.50000000 Na
   0.00000000    0.00000000    0.00000000 Cl
