F   LATTICE,NONEQUIV.ATOMS   3  227 Fd-3m                                      
MODE OF CALC=RELA unit=bohr                                                    
 17.213326 17.213326 17.213326 90.000000 90.000000 90.000000                   
ATOM  -1: X=0.26271000 Y=0.26271000 Z=0.26271000
          MULT= 8          ISPLIT= 4
      -1: X=0.73729000 Y=0.73729000 Z=0.73729000
      -1: X=0.73729000 Y=0.51271000 Z=0.51271000
      -1: X=0.26271000 Y=0.98729000 Z=0.98729000
      -1: X=0.98729000 Y=0.98729000 Z=0.26271000
      -1: X=0.51271000 Y=0.51271000 Z=0.73729000
      -1: X=0.51271000 Y=0.73729000 Z=0.51271000
      -1: X=0.98729000 Y=0.26271000 Z=0.98729000
O          NPT=  781  R0=.000100000 RMT= 1.58        Z:   8.00000              
LOCAL ROT MATRIX:    0.4082483-0.7071068 0.5773503
                     0.4082483 0.7071068 0.5773503
                    -0.8164966 0.0000000 0.5773503
ATOM   2: X=0.37500000 Y=0.37500000 Z=0.37500000
          MULT= 2          ISPLIT= 2
       2: X=0.62500000 Y=0.62500000 Z=0.62500000
Mo         NPT=  781  R0=.000010000 RMT= 1.75        Z:  42.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -3: X=0.00000000 Y=0.00000000 Z=0.00000000
          MULT= 4          ISPLIT= 4
      -3: X=0.00000000 Y=0.25000000 Z=0.25000000
      -3: X=0.25000000 Y=0.25000000 Z=0.00000000
      -3: X=0.25000000 Y=0.00000000 Z=0.25000000
Na         NPT=  781  R0=.000100000 RMT= 2.25        Z:  11.00000              
LOCAL ROT MATRIX:    0.4082483-0.7071068 0.5773503
                     0.4082483 0.7071068 0.5773503
                    -0.8164966 0.0000000 0.5773503