Ca 
 1.0000000000000000
     3.9310347751103532   -0.0000000000000000    0.0000000000000000
    -1.9655173875551766    3.4043759784056129    0.0000000000000000
     0.0000000000000000    0.0000000000000000    6.4211422125616737
 Ca 
   2
Selective dynamics
Cartesian
 -0.0000000196551749  2.2695839969516616  1.6052855531404178   T   T   T
  1.9655173679000024  1.1347920041497908  4.8158566594212546   T   T   T