Ca 
 1.0000000000000000
     4.5635693957883250    0.0000000000000000    0.0000000000000000
     0.0000000000000000    4.5635693957883250   -0.0000000000000000
     0.0000000000000000   -0.0000000000000000    4.5635693957883250
 Ca 
   2
Selective dynamics
Cartesian
  0.0000000000000000  0.0000000000000000  0.0000000000000000   T   T   T
  2.2817846978941621  2.2817846978941621  2.2817846978941621   T   T   T