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
  2.4662549523765414  0.0115217213596790  1.5865810588841101
  0.0070548190016685  0.0097602511431920  0.0000658386657549
  2.3012764712787876  1.3998684824262053 -0.9756840310015564
  1.5598869317781254 -0.0069844106102423  3.4694328255060585
  3.3418318111607452  0.0038309443062064 -0.3134187577367881
  3.6866119393994103  1.4203086058433008  2.6053140223467031
  1.2415599853839148  1.4135577168508719  0.5795401803217863
