F   LATTICE,NONEQUIV.ATOMS   6   70 Fddd                                       
MODE OF CALC=RELA unit=bohr                                                    
 20.546992 22.663486 33.896018 90.000000 90.000000 90.000000                   
ATOM  -1: X=0.12500000 Y=0.38263000 Z=0.12500000
          MULT= 4          ISPLIT= 8
      -1: X=0.87500000 Y=0.61737000 Z=0.87500000
      -1: X=0.37500000 Y=0.63263000 Z=0.87500000
      -1: X=0.12500000 Y=0.86737000 Z=0.12500000
W          NPT=  781  R0=.000005000 RMT= 1.94        Z:  74.00000              
LOCAL ROT MATRIX:    0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
                     1.0000000 0.0000000 0.0000000
ATOM  -2: X=0.12500000 Y=0.12500000 Z=0.51380000
          MULT= 4          ISPLIT= 8
      -2: X=0.87500000 Y=0.87500000 Z=0.48620000
      -2: X=0.87500000 Y=0.37500000 Z=0.76380000
      -2: X=0.12500000 Y=0.12500000 Z=0.73620000
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=0.30485000 Y=0.12500000 Z=0.12500000
          MULT= 4          ISPLIT= 8
      -3: X=0.69515000 Y=0.87500000 Z=0.87500000
      -3: X=0.55485000 Y=0.37500000 Z=0.87500000
      -3: X=0.94515000 Y=0.12500000 Z=0.12500000
Ba         NPT=  781  R0=.000010000 RMT= 2.50000     Z:  56.00000              
LOCAL ROT MATRIX:    0.0000000 0.0000000 1.0000000
                     1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
ATOM  -4: X=0.12500000 Y=0.12500000 Z=0.28572000
          MULT= 4          ISPLIT= 8
      -4: X=0.87500000 Y=0.87500000 Z=0.71428000
      -4: X=0.87500000 Y=0.37500000 Z=0.53572000
      -4: X=0.12500000 Y=0.12500000 Z=0.96428000
Ca         NPT=  781  R0=.000050000 RMT= 2.33        Z:  20.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -5: X=0.13460000 Y=0.29200000 Z=0.03980000
          MULT= 8          ISPLIT= 8
      -5: X=0.86540000 Y=0.70800000 Z=0.96020000
      -5: X=0.38460000 Y=0.54200000 Z=0.96020000
      -5: X=0.11540000 Y=0.95800000 Z=0.03980000
      -5: X=0.86540000 Y=0.54200000 Z=0.28980000
      -5: X=0.13460000 Y=0.95800000 Z=0.21020000
      -5: X=0.11540000 Y=0.29200000 Z=0.21020000
      -5: X=0.38460000 Y=0.70800000 Z=0.28980000
N          NPT=  781  R0=.000100000 RMT= 1.59        Z:   7.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -6: X=0.01450000 Y=0.02570000 Z=0.38330000
          MULT= 8          ISPLIT= 8
      -6: X=0.98550000 Y=0.97430000 Z=0.61670000
      -6: X=0.26450000 Y=0.27570000 Z=0.61670000
      -6: X=0.23550000 Y=0.22430000 Z=0.38330000
      -6: X=0.98550000 Y=0.27570000 Z=0.63330000
      -6: X=0.01450000 Y=0.22430000 Z=0.86670000
      -6: X=0.23550000 Y=0.02570000 Z=0.86670000
      -6: X=0.26450000 Y=0.97430000 Z=0.63330000
N          NPT=  781  R0=.000100000 RMT= 1.59        Z:   7.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000