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
  2.4502073440999017 -0.0083921923894522  1.5717620545264224
 -0.0003151858239395  0.0156332911593992  0.0031729403611904
  2.2893752641543501  1.4092921129083096 -0.9625386472222588
  1.5516506247468789 -0.0157825137382338  3.4832392360503173
  3.3545749610074735  0.0038317044315617 -0.2970341403720162
  3.6784659879130222  1.4345360056920478  2.5915995149970121
  1.2414400809536139  1.4309617702884780  0.5729839734406617
