Li Ni  O 
 1.0000000000000000
     4.5996189999999997    0.0000000000000000   -1.9394070000000001
     0.0000000000000000    2.8279139999999998    0.0000000000000000
     0.3141910000000000    0.0000000000000000    5.1035729999999999
   1   2   4
Cartesian
  2.4563118381795745  0.0053319732825147  1.5887792956792204
 -0.0102565161258953  0.0087386254864657  0.0014713829150877
  2.2990022902707055  1.4140959965840663 -0.9724223379045557
  1.5455952919330291  0.0103951307355759  3.4700452050443911
  3.3527957269343043  0.0198191341155791 -0.3088941029837003
  3.6580717047203386  1.4087653950231480  2.6031878882331747
  1.2483468325373726  1.4205104529666046  0.5659380945657772
