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
  2.4545444313106297  0.0050660223382126  1.5993805779321317
 -0.0181493937355355  0.0013343724643625  0.0039645941672762
  2.2692214940270765  1.4101162379280441 -0.9683133921040457
  1.5705616396974480  0.0040445277123097  3.4584256868605476
  3.3346253313966523 -0.0138730321781052 -0.3123287562776281
  3.6568010097126820  1.4107940643736578  2.6108177711025324
  1.2298831811072024  1.4398639131733164  0.5737520038812973
