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
  2.4443274245324131 -0.0056261106165310  1.5925195403188193
  0.0048837757595261 -0.0160862925490020  0.0085747612352337
  2.2907905696327542  1.4268970095733220 -0.9911483082825414
  1.5746962781797464 -0.0029459958954801  3.4802720850614750
  3.3434928476234487  0.0067678247090003 -0.3097569571570225
  3.6875937528812366  1.4122110972481219  2.6046475047042268
  1.2424056159572319  1.4291190314633699  0.5736496974623910
