bulk@mp_755333                          
   1.00000000000000     
     2.9431330137500193    2.1138617974068055   -0.4087165667810472
    -2.9431330137500193    2.1138617974068055    0.4087165667810472
    -2.1540833060464157    0.0000000000000000    4.0839037151098294
   Hg   O 
     1     2
Direct
  0.0000000000000000 -0.0000000000000000 -0.0000000000000000
  0.5556320979166870  0.4443679020833132  0.6909256614648233
  0.4443679020833132  0.5556320979166870  0.3090743385351769
 
  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
