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
  2.4454139255755232 -0.0016133860208473  1.5879630098331172
  0.0027087454999326 -0.0043571858208918 -0.0079301457834892
  2.2993963239337591  1.3961929621722278 -0.9748150169252424
  1.5652963328204781  0.0054207828446868  3.4721220644166206
  3.3548038174812067 -0.0067175836084352 -0.3361016332079677
  3.6743776728071071  1.4140144388160920  2.5801138193658120
  1.2441828458631143  1.4147213009390009  0.5823653229075694
