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
  2.4388701746661159  0.0021941361529464  1.5855363939190477
  0.0015463836774731 -0.0000531136303465 -0.0126804449889059
  2.3200476766489349  1.4036920294984243 -0.9720471999829260
  1.5516702498072454  0.0008883483567214  3.4818160694873121
  3.3326336074601772 -0.0062302576487709 -0.2943105317003775
  3.6689001001069044  1.4231443807173723  2.5779714925279671
  1.2374398113717613  1.4148995652858611  0.5713082851387002
