Ca 
 1.0000000000000000
     4.4133834258629259    0.0000000000000000   -0.0000000000000000
    -0.0000000000000000    4.4133834258629259    0.0000000000000000
     0.0000000000000000    0.0000000000000000    4.4133834258629259
 Ca 
   2
Selective dynamics
Cartesian
  0.0000000000000000  0.0000000000000000  0.0000000000000000   T   T   T
  2.2066917129314629  2.2066917129314629  2.2066917129314629   T   T   T