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
  2.4564248202161365  0.0010565445188254  1.5869643492832912
  0.0012743044086613  0.0194203911261609 -0.0103736143249114
  2.3056051066885677  1.4182501584166549 -0.9646667051030660
  1.5512364412246051 -0.0060914856578394  3.4752154743519936
  3.3630852279092149 -0.0081265126487997 -0.3356018801361516
  3.6515923122097069  1.4149658992194711  2.5837845882808415
  1.2511448375480987  1.4162284773308229  0.5693381258498728
