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
  2.4601844922524720  0.0122350845846462  1.5767998804165511
  0.0087395309531360 -0.0001706377237148  0.0054516351417935
  2.3026643723962832  1.4190662215430676 -0.9563140206941469
  1.5639204398712920  0.0179807295397445  3.4856814909993208
  3.3316388912901935 -0.0063801314407513 -0.3115148303147132
  3.6705974138843174  1.4086128256956247  2.6005938992323405
  1.2347240634535779  1.4008151711169203  0.5627662343877335
