Na1 Cl1
1.0
0.000000 2.845847 2.845847
2.845847 0.000000 2.845847
2.845847 2.845847 0.000000
Na Cl
1 1
direct
0.000000 0.000000 0.000000 Na
0.500000 0.500000 0.500000 Cl
