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
  2.4461941005258958 -0.0042830206161517  1.5782016287450460
 -0.0043138402207230 -0.0089898649022791  0.0039499408282705
  2.3049228050403858  1.4036186245650917 -0.9711890939201936
  1.5602822295026000  0.0109818082547176  3.4758096172002140
  3.3547589188836380 -0.0262984165967799 -0.3152922479155721
  3.6635683361691043  1.4182867159975883  2.6100351568937130
  1.2451199203463632  1.4180811939913442  0.5671749616304108
