Ca  H 
 1.0000000000000000
     6.2586425275958053   -0.0000000000000000    0.0000000000000000
    -0.0000000000000000    3.7579813465484131    0.0000000000000000
     0.0000000000000000    0.0000000000000000    7.0559960517639828
 Ca  H  
   4   8
Selective dynamics
Cartesian
  4.6903100109172176  0.9394953366371059  6.5678510016872060   T   T   T
  4.6976537804764735  2.8184860099113589  3.0398529758052089   T   T   T
  1.5683325166785329  2.8184860099113589  0.4881450500768040   T   T   T
  1.5609887471193626  0.9394953366371059  4.0161430759588228   T   T   T
  3.8745544604324027  0.9394953366371059  4.0757541674479150   T   T   T
  5.5134093309613714  2.8184860099113589  0.5477561415658950   T   T   T
  2.3840880671633782  2.8184860099113589  2.9802418843161442   T   T   T
  0.7452331966344894  0.9394953366371059  6.5082399101981157   T   T   T
 -0.3194649505125659  0.9394953366371059  2.7306440229121942   T   T   T
  3.4487862143104828  2.8184860099113589  6.2586420487942647   T   T   T
  6.5781074781083433  2.8184860099113589  4.3253520288517775   T   T   T
  2.8098563132853585  0.9394953366371059  0.7973540029698026   T   T   T