Ni1 O2                                  
   1.00000000000000     
     4.5142468244319396   -1.3809608772174600   -0.0501468888630344
     4.5142468244319396    1.3809608772174600   -0.0501468888630344
     4.1179966938129411   -0.0000000000000000    2.3086961565645403
   Ni   O 
     1     2
Direct
  0.0000000000000000  0.0000000000000000 -0.0000000000000000
  0.2627025690533941  0.2627025690533941  0.2627025695774800
  0.7372974309466059  0.7372974309466059  0.7372974304225202
 
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
