F   LATTICE,NONEQUIV.ATOMS   4   70 Fddd                                       
MODE OF CALC=RELA unit=bohr                                                    
 13.767978 22.087119 27.030643 90.000000 90.000000 90.000000                   
ATOM  -1: X=0.12500000 Y=0.12500000 Z=0.12500000
          MULT= 2          ISPLIT= 8
      -1: 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  -2: X=0.12500000 Y=0.42875000 Z=0.12500000
          MULT= 4          ISPLIT= 8
      -2: X=0.87500000 Y=0.57125000 Z=0.87500000
      -2: X=0.37500000 Y=0.67875000 Z=0.87500000
      -2: X=0.12500000 Y=0.82125000 Z=0.12500000
Cl         NPT=  781  R0=.000100000 RMT= 1.35        Z:  17.00000              
LOCAL ROT MATRIX:    0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
                     1.0000000 0.0000000 0.0000000
ATOM  -3: X=0.15750000 Y=0.35330000 Z=0.04710000
          MULT= 8          ISPLIT= 8
      -3: X=0.84250000 Y=0.64670000 Z=0.95290000
      -3: X=0.40750000 Y=0.60330000 Z=0.95290000
      -3: X=0.09250000 Y=0.89670000 Z=0.04710000
      -3: X=0.84250000 Y=0.60330000 Z=0.29710000
      -3: X=0.15750000 Y=0.89670000 Z=0.20290000
      -3: X=0.09250000 Y=0.35330000 Z=0.20290000
      -3: X=0.40750000 Y=0.64670000 Z=0.29710000
O          NPT=  781  R0=.000100000 RMT= 1.35        Z:   8.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -4: X=0.46930000 Y=0.00160000 Z=0.10880000
          MULT= 8          ISPLIT= 8
      -4: X=0.53070000 Y=0.99840000 Z=0.89120000
      -4: X=0.71930000 Y=0.25160000 Z=0.89120000
      -4: X=0.78070000 Y=0.24840000 Z=0.10880000
      -4: X=0.53070000 Y=0.25160000 Z=0.35880000
      -4: X=0.46930000 Y=0.24840000 Z=0.14120000
      -4: X=0.78070000 Y=0.00160000 Z=0.14120000
      -4: X=0.71930000 Y=0.99840000 Z=0.35880000
O          NPT=  781  R0=.000100000 RMT= 1.35        Z:   8.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000