F   LATTICE,NONEQUIV.ATOMS   3   70 Fddd                                       
MODE OF CALC=RELA unit=bohr                                                    
 12.315534 16.756202 41.279178 90.000000 90.000000 90.000000                   
ATOM  -1: X=0.12500000 Y=0.12500000 Z=0.28814000
          MULT= 4          ISPLIT= 8
      -1: X=0.87500000 Y=0.87500000 Z=0.71186000
      -1: X=0.87500000 Y=0.37500000 Z=0.53814000
      -1: X=0.12500000 Y=0.12500000 Z=0.96186000
Au         NPT=  781  R0=.000005000 RMT= 2.50000     Z:  79.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -2: X=0.12500000 Y=0.12500000 Z=0.12500000
          MULT= 2          ISPLIT= 8
      -2: X=0.87500000 Y=0.87500000 Z=0.87500000
Ba         NPT=  781  R0=.000010000 RMT= 2.50000     Z:  56.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -3: X=0.06290000 Y=0.50919000 Z=0.04723000
          MULT= 8          ISPLIT= 8
      -3: X=0.93710000 Y=0.49081000 Z=0.95277000
      -3: X=0.31290000 Y=0.75919000 Z=0.95277000
      -3: X=0.18710000 Y=0.74081000 Z=0.04723000
      -3: X=0.93710000 Y=0.75919000 Z=0.29723000
      -3: X=0.06290000 Y=0.74081000 Z=0.20277000
      -3: X=0.18710000 Y=0.50919000 Z=0.20277000
      -3: X=0.31290000 Y=0.49081000 Z=0.29723000
P          NPT=  781  R0=.000100000 RMT= 1.89        Z:  15.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000