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
  2.4527797361831190 -0.0035346307997727  1.5891302208626117
 -0.0192066591744138 -0.0052062783444486  0.0274610109020445
  2.2988482007974453  1.4263475546016440 -0.9697813299676026
  1.5698822263609873 -0.0077937106591070  3.4761919268074091
  3.3443737311074302 -0.0058357050591859 -0.2969469836545642
  3.6755425918307085  1.4154454095835705  2.6003477683800602
  1.2203654696438644  1.4210299151612045  0.5718056210050375
