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
  2.4629356544427368 -0.0055514478310373  1.5925496388522753
 -0.0348139742095428  0.0022769944469760  0.0037685797704408
  2.2939910152459841  1.4100239565163304 -0.9833507566979550
  1.5704277207447250 -0.0083420567291379  3.4687143165303089
  3.3471347365929409 -0.0035147861307666 -0.3128928606684442
  3.6667171878256615  1.4075066201701707  2.5789111615619955
  1.2497357269040201  1.4127607373247246  0.5663995167275176
