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
  2.4589303337915185 -0.0000641438854545  1.5937154964141493
 -0.0028135107289059  0.0148089059871161  0.0163321149569545
  2.2981010991029494  1.3980114753102360 -0.9649350015019488
  1.5651356374622565  0.0005552147431445  3.4794744996126581
  3.3323166544728275  0.0075194924623421 -0.3302477875960937
  3.6701993227570884  1.3995269449325192  2.5823842216593067
  1.2511411927529745  1.4153715761772474  0.5780216695397248
