 O S Ca
   1.0
     6.9849727499999998    0.0000000000000000    0.0000000000000000
     0.0000000000000000    6.1743397499999997    0.0000000000000000
     0.0000000000000000    0.0000000000000000    6.9897767999999996
 O S Ca
  16   4   4
Direct
   0.6710573200000001  0.5103936400000000  0.2500000000000000
   0.3289426800000000  0.4896063600000000  0.7500000000000000
   0.3289426800000000  0.5103936400000000  0.2500000000000000
   0.6710573200000001  0.4896063600000000  0.7500000000000000
   0.0000000000000000  0.7022338500000000  0.9195134700000001
   0.0000000000000000  0.2977661500000000  0.4195134700000000
   0.0000000000000000  0.7022338500000000  0.5804865299999999
   0.0000000000000000  0.2977661500000000  0.0804865300000000
   0.1710573200000000  0.0103936400000000  0.2500000000000000
   0.8289426799999999  0.9896063600000000  0.7500000000000000
   0.8289426799999999  0.0103936400000000  0.2500000000000000
   0.1710573200000000  0.9896063600000000  0.7500000000000000
   0.5000000000000000  0.2022338500000000  0.9195134700000001
   0.5000000000000000  0.7977661500000000  0.4195134700000000
   0.5000000000000000  0.2022338500000000  0.5804865299999999
   0.5000000000000000  0.7977661500000000  0.0804865300000000
   0.0000000000000000  0.1529402300000000  0.2500000000000000
   0.0000000000000000  0.8470597700000000  0.7500000000000000
   0.5000000000000000  0.6529402300000000  0.2500000000000000
   0.5000000000000000  0.3470597700000000  0.7500000000000000
   0.0000000000000000  0.6487961799999999  0.2500000000000000
   0.0000000000000000  0.3512038200000000  0.7500000000000000
   0.5000000000000000  0.1487961800000000  0.2500000000000000
   0.5000000000000000  0.8512038200000001  0.7500000000000000