CaCl2
58
6.240000 6.430000 4.200000 90.000000 90.000000 90.000000
0.850000
0 0 1
8 1
2 2
1 Ca 0.000000 0.000000 0.000000 0.470000 1.000000
2 Cl 0.275000 0.325000 0.000000 1.780000 1.000000
HF-2000 1.200000 0.000000 0.000000
200.000000
0.000000 0.000000
20.000000,200.000000,60.000000
NO
-630.000000
0.410000
 0.000000 0.000000 0.000000 0.000000
x,y,z
-x,-y,z
-x+1/2,y+1/2,-z+1/2
x+1/2,-y+1/2,-z+1/2
-x,-y,-z
x,y,-z
x+1/2,-y+1/2,z+1/2
-x+1/2,y+1/2,z+1/2
15
0.000000