F   LATTICE,NONEQUIV.ATOMS   5  225 Fm-3m                                      
MODE OF CALC=RELA unit=bohr                                                    
 28.742734 28.742734 28.742734 90.000000 90.000000 90.000000                   
ATOM   1: X=0.00000000 Y=0.00000000 Z=0.00000000
          MULT= 1          ISPLIT= 2
Mg         NPT=  781  R0=.000100000 RMT= 2.50000     Z:  12.00000              
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=0.25000000 Z=0.25000000
          MULT= 6          ISPLIT= 8
      -2: X=0.75000000 Y=0.00000000 Z=0.25000000
      -2: X=0.25000000 Y=0.00000000 Z=0.25000000
      -2: X=0.00000000 Y=0.75000000 Z=0.25000000
      -2: X=0.25000000 Y=0.75000000 Z=0.00000000
      -2: X=0.25000000 Y=0.25000000 Z=0.00000000
Mg         NPT=  781  R0=.000100000 RMT= 2.50000     Z:  12.00000              
LOCAL ROT MATRIX:    0.0000000 1.0000000 0.0000000
                    -0.7071068 0.0000000 0.7071068
                     0.7071068 0.0000000 0.7071068
ATOM  -3: X=0.12600000 Y=0.12600000 Z=0.12600000
          MULT= 8          ISPLIT= 4
      -3: X=0.87400000 Y=0.87400000 Z=0.87400000
      -3: X=0.87400000 Y=0.12600000 Z=0.12600000
      -3: X=0.12600000 Y=0.87400000 Z=0.87400000
      -3: X=0.87400000 Y=0.87400000 Z=0.12600000
      -3: X=0.12600000 Y=0.12600000 Z=0.87400000
      -3: X=0.12600000 Y=0.87400000 Z=0.12600000
      -3: X=0.87400000 Y=0.12600000 Z=0.87400000
Mg         NPT=  781  R0=.000100000 RMT= 2.50000     Z:  12.00000              
LOCAL ROT MATRIX:    0.4082483-0.7071068 0.5773503
                     0.4082483 0.7071068 0.5773503
                    -0.8164966 0.0000000 0.5773503
ATOM  -4: X=0.32300000 Y=0.32300000 Z=0.32300000
          MULT= 8          ISPLIT= 4
      -4: X=0.67700000 Y=0.67700000 Z=0.67700000
      -4: X=0.67700000 Y=0.32300000 Z=0.32300000
      -4: X=0.32300000 Y=0.67700000 Z=0.67700000
      -4: X=0.67700000 Y=0.67700000 Z=0.32300000
      -4: X=0.32300000 Y=0.32300000 Z=0.67700000
      -4: X=0.32300000 Y=0.67700000 Z=0.32300000
      -4: X=0.67700000 Y=0.32300000 Z=0.67700000
Mg         NPT=  781  R0=.000100000 RMT= 2.50000     Z:  12.00000              
LOCAL ROT MATRIX:    0.4082483-0.7071068 0.5773503
                     0.4082483 0.7071068 0.5773503
                    -0.8164966 0.0000000 0.5773503
ATOM  -5: X=0.26000000 Y=0.00000000 Z=0.00000000
          MULT= 6          ISPLIT=-2
      -5: X=0.74000000 Y=0.00000000 Z=0.00000000
      -5: X=0.00000000 Y=0.26000000 Z=0.00000000
      -5: X=0.00000000 Y=0.74000000 Z=0.00000000
      -5: X=0.00000000 Y=0.00000000 Z=0.26000000
      -5: X=0.00000000 Y=0.00000000 Z=0.74000000
Ba         NPT=  781  R0=.000010000 RMT= 2.50000     Z:  56.00000              
LOCAL ROT MATRIX:    0.0000000 0.0000000 1.0000000
                     0.0000000 1.0000000 0.0000000
                    -1.0000000 0.0000000 0.0000000