Na1 Cl1
1.0
  -0.00000000    2.81372600    2.81372600
   2.81372600    0.00000000    2.81372600
   2.81372600    2.81372600    0.00000000
Na Cl
1 1
direct
   0.50000000    0.50000000    0.50000000 Na
   0.00000000    0.00000000    0.00000000 Cl
