Zr 
 1.0000000000000000
     4.5445246391528675   -0.0000000000000000   -0.0000000000000000
     0.0000000000000000    4.5445246391528675    0.0000000000000000
     0.0000000000000000    0.0000000000000000    4.5445246391528675
 Zr 
   4
Selective dynamics
Cartesian
  0.0000000000000000  0.0000000000000000  0.0000000000000000   T   T   T
  0.0000000000000000  2.2722623195764329  2.2722623195764329   T   T   T
  2.2722623195764329  0.0000000000000000  2.2722623195764329   T   T   T
  2.2722623195764329  2.2722623195764329  0.0000000000000000   T   T   T