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
  2.4517893031559330 -0.0006469263131970  1.5830721436544064
  0.0000075155270970  0.0010359578798669  0.0027161363957129
  2.2814594013880987  1.4091010898874654 -0.9739571156125822
  1.5766973248092540  0.0075179423559253  3.4711524934111999
  3.3561740396640665  0.0020940750881656 -0.3152373953280217
  3.6710580994217286  1.4295388282852872  2.5944653454949127
  1.2175148051453526  1.4031849824134779  0.5669298394092890
