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
  2.4385699302588795 -0.0098534717573310  1.5792549581313882
  0.0034975404456574 -0.0068151089575807  0.0150347402925511
  2.2960911628494345  1.4266585533481799 -0.9861684596282245
  1.5746284093225498  0.0047171845848729  3.4887256857927471
  3.3429441946599598 -0.0116024736764197 -0.3060875224254105
  3.6728368840901200  1.4102104149057757  2.5894031059340552
  1.2335508301849771  1.4138743973710464  0.5740113083091487
