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
  2.4457348796021852 -0.0018426447519581  1.5924773884367751
  0.0186472424273679 -0.0006298725676277 -0.0001325140576379
  2.3041660035491014  1.4028249141833593 -0.9757785245399209
  1.5660757046432967  0.0084641743274962  3.4666990725522040
  3.3584945769105992 -0.0098157070907274 -0.3089331576730380
  3.6670594969827164  1.4182110464016617  2.5934920445985070
  1.2481383691968715  1.4198885166756450  0.5555562079879091
