Ca 
 1.0000000000000000
     4.2924839209642913   -0.0000000000000000    0.0000000000000000
     0.0000000000000000    5.7028721899889527    0.0000000000000000
     0.0000000000000000    0.0000000000000000    3.4760579129012710
 Ca 
   2
Selective dynamics
Cartesian
  0.0000000000000000  0.0000000000000000  0.0000000000000000   T   T   T
  2.1462419604821457  2.8514360949944768  0.0000000000000000   T   T   T