Mo1 S2
1.0
3.318842 0.137045 6.546456
1.672292 2.870006 6.546456
0.227468 0.137045 7.336148
S Mo
2 1
direct
0.406535 0.406535 0.406535 S
0.259688 0.259688 0.259688 S
0.999777 0.999777 0.999777 Mo

