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
  2.4544139456996592 -0.0150188276312690  1.5903941520590894
 -0.0026380354305810  0.0008639226095345  0.0015932294063682
  2.3019133690148617  1.4168028635570962 -0.9678394982584666
  1.5631741598211271 -0.0006971471239437  3.4653475427502594
  3.3481753390903175  0.0009954353497613 -0.3290830797963041
  3.6782275894355911  1.4113856746491285  2.5982298307779743
  1.2394206654729210  1.3970937928624065  0.5767868544893346
