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
  2.4654523837829836 -0.0006257404695998  1.5821277712593664
 -0.0033139012138090  0.0132053821782652  0.0069742204108685
  2.2845043688731068  1.4063152915433657 -0.9784433645726738
  1.5674917019983676  0.0009450361368596  3.4906527385945472
  3.3555082890679060  0.0030192690603267 -0.3259272825503242
  3.6694762926571016  1.4049776129612239  2.5984675937867800
  1.2430675792915418  1.4111420814343243  0.5686050964742974
