Zr 
 1.0000000000000000
     4.5445241132836474    0.0000000000000000   -0.0000000000000000
    -0.0000000000000000    4.5445241132836474   -0.0000000000000000
     0.0000000000000000   -0.0000000000000000    4.5445241132836474
 Zr 
   4
Selective dynamics
Cartesian
  0.0000000000000000  0.0000000000000000  0.0000000000000000   T   T   T
 -0.0000000000000000  2.2722620566418232  2.2722620566418232   T   T   T
  2.2722620566418232 -0.0000000000000000  2.2722620566418232   T   T   T
  2.2722620566418232  2.2722620566418232 -0.0000000000000000   T   T   T