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
  2.4645374763474739 -0.0062857673312450  1.6004638962142739
 -0.0064922460315519  0.0103551550125114  0.0106508148180778
  2.2947586134447651  1.4135762898533779 -0.9793423899821113
  1.5619965658930162 -0.0089688335381758  3.4680657986062093
  3.3445706934181878 -0.0141561276174642 -0.3073712800056921
  3.6585428072460240  1.4117464080550921  2.5821265360905992
  1.2464218390205768  1.4214009201594910  0.5625329255484254
