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
  2.4460211262178841  0.0104332538821382  1.5801495828109680
  0.0057789702172061  0.0039958662429744 -0.0087026162244601
  2.2970569475941613  1.4275684359370238 -0.9653997166563243
  1.5750557961427143 -0.0115897795922317  3.4782505347186730
  3.3490623698399937 -0.0010136116647163 -0.3222967136632592
  3.6789300384009072  1.4135462456197838  2.5800866555312156
  1.2477563245699519  1.4162974306993761  0.5524205092907382
