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
  2.4577823512902444  0.0107707198612440  1.5863834624062951
  0.0021579721995750 -0.0106980642666240 -0.0131922952251799
  2.2988637203329030  1.4358039852375846 -0.9740863647379635
  1.5707927929157224 -0.0134373158836148  3.4859666210748506
  3.3324823137897397  0.0118574674876856 -0.3086670126077413
  3.6744438335384255  1.3981094979422362  2.5884318796546819
  1.2496143819856331  1.4103081800478781  0.5866568984213943
