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
  2.4479748950467517  0.0012151083589703  1.6059575552275451
  0.0099082575716022  0.0043197114283163 -0.0062001131147048
  2.2909717571877617  1.4271150928676053 -0.9775805297593182
  1.5800972483369893  0.0042768095395169  3.4633671328242834
  3.3576602682610637 -0.0053953293528258 -0.2975353511571390
  3.6713224150943224  1.4044011543967696  2.6006412382434205
  1.2450877680163310  1.4144425583975913  0.5737372764240487
