F   LATTICE,NONEQUIV.ATOMS   3  227 Fd-3m                                      
MODE OF CALC=RELA unit=bohr                                                    
 20.431719 20.431719 20.431719 90.000000 90.000000 90.000000                   
ATOM   1: X=0.37500000 Y=0.37500000 Z=0.37500000
          MULT= 2          ISPLIT= 2
       1: X=0.62500000 Y=0.62500000 Z=0.62500000
Hg         NPT=  781  R0=.000005000 RMT= 2.50000     Z:  80.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -2: X=0.00000000 Y=0.00000000 Z=0.00000000
          MULT= 4          ISPLIT= 4
      -2: X=0.00000000 Y=0.25000000 Z=0.25000000
      -2: X=0.25000000 Y=0.25000000 Z=0.00000000
      -2: X=0.25000000 Y=0.00000000 Z=0.25000000
In         NPT=  781  R0=.000010000 RMT= 2.50000     Z:  49.00000              
LOCAL ROT MATRIX:    0.4082483-0.7071068 0.5773503
                     0.4082483 0.7071068 0.5773503
                    -0.8164966 0.0000000 0.5773503
ATOM  -3: X=0.23700000 Y=0.23700000 Z=0.23700000
          MULT= 8          ISPLIT= 4
      -3: X=0.76300000 Y=0.76300000 Z=0.76300000
      -3: X=0.76300000 Y=0.48700000 Z=0.48700000
      -3: X=0.23700000 Y=0.01300000 Z=0.01300000
      -3: X=0.01300000 Y=0.01300000 Z=0.23700000
      -3: X=0.48700000 Y=0.48700000 Z=0.76300000
      -3: X=0.48700000 Y=0.76300000 Z=0.48700000
      -3: X=0.01300000 Y=0.23700000 Z=0.01300000
S          NPT=  781  R0=.000100000 RMT= 2.12        Z:  16.00000              
LOCAL ROT MATRIX:    0.4082483-0.7071068 0.5773503
                     0.4082483 0.7071068 0.5773503
                    -0.8164966 0.0000000 0.5773503