System
1.0
4.13632916759982 0.0 0.0
0.0 6.17082734934431 0.0
0.0 -0.0 6.487043262556651
Ca Cl
2 4
direct
0.5 0.5 0.5 
0.0 0.0 0.0 
0.5 0.7609905257946369 0.1582415598695107 
0.5 0.23900947420536287 0.8417584401304893 
0.0 0.7390094742053631 0.6582415598695107 
0.0 0.2609905257946374 0.3417584401304896 
