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
  2.4564790537955594  0.0085604926710623  1.5750539016005787
  0.0038075306300865  0.0028690019236207  0.0061886979531860
  2.2998558035774872  1.3998618855388720 -0.9727446287831117
  1.5653242152074511 -0.0017282217501579  3.4676022977269354
  3.3715316675015212 -0.0128595180607175 -0.3042962581433152
  3.6608955429621104  1.4021146375984153  2.6020824097849071
  1.2488205240084989  1.4131627611300608  0.5661324125700725
