 O Ca As
   1.0
     4.8567329199999998    0.0000000000000000    0.0000000000000000
    -2.4283664599999999    4.2060540900000003    0.0000000000000000
     0.0000000000000000    0.0000000000000000    5.0715745700000001
 O Ca As
   6   1   2
Direct
   0.3765303100000000  0.0000000000000000  0.2952613500000000
   0.6234696900000001  0.6234696900000001  0.2952613500000000
   0.0000000000000000  0.3765303100000000  0.2952613500000000
   0.3765303100000000  0.3765303100000000  0.7047386500000000
   0.0000000000000000  0.6234696900000001  0.7047386500000000
   0.6234696900000001  0.0000000000000000  0.7047386500000000
   0.0000000000000000  0.0000000000000000  0.0000000000000000
   0.3333333300000000  0.6666666700000000  0.5000000000000000
   0.6666666700000000  0.3333333300000000  0.5000000000000000