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
  2.4632608771503417 -0.0041704600395065  1.5747383359854661
  0.0052626017886910 -0.0214727668638786 -0.0056283585070774
  2.3015462497853876  1.4007213724138698 -0.9756783564459548
  1.5704425173761369 -0.0078496991596837  3.4642215205111868
  3.3487672083349480  0.0046108710596104 -0.3262572586452549
  3.6921318914300221  1.4210587545212963  2.5910249058131645
  1.2463634508466710  1.3990095072329176  0.5799427352765745
