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
  2.4568394042239516  0.0023787456058601  1.5646799552491473
 -0.0087457464404559 -0.0024559396708030  0.0048986815708842
  2.2971196412654074  1.4337450254890314 -0.9709589681133005
  1.5754678386974716  0.0037452420068461  3.4705405777939657
  3.3529300847910553  0.0069540369621412 -0.3072419658472898
  3.6569361240314335  1.4033955195617018  2.5960898487564799
  1.2527005393952138  1.4358407486229769  0.5537605353806504
