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
  2.4486644156274409  0.0016369210804838  1.5859089280966647
  0.0156541743393495 -0.0028597128621433 -0.0065168593475912
  2.2852211487076057  1.4073816347681036 -0.9678331755568285
  1.5709310637513583 -0.0020901318966292  3.4713506493831399
  3.3527265578761214  0.0070515956371792 -0.2944425676483570
  3.6733134909858309  1.4025846867410072  2.5978965587370850
  1.2561033770886514  1.4210976536896387  0.5953498654853507
