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
  2.4628495275230784 -0.0130723563393774  1.5821610560008095
 -0.0040775768160185 -0.0040793978521258 -0.0153077746635880
  2.2976128369752336  1.4219017906472968 -0.9743328690813052
  1.5510963394395638  0.0034942134033571  3.4670931454864209
  3.3326145843432720 -0.0034710741152397 -0.2892222223342625
  3.6783558800550575  1.4206701894415288  2.5842282480044245
  1.2646092365853352  1.4242499192762978  0.5618606138118203
