F   LATTICE,NONEQUIV.ATOMS   5   70 Fddd                                       
MODE OF CALC=RELA unit=bohr                                                    
 11.878818 22.157039 24.573999 90.000000 90.000000 90.000000                   
ATOM  -1: X=0.12500000 Y=0.12500000 Z=0.62500000
          MULT= 2          ISPLIT= 8
      -1: X=0.87500000 Y=0.87500000 Z=0.37500000
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=0.12500000 Z=0.03210000
          MULT= 4          ISPLIT= 8
      -2: X=0.87500000 Y=0.87500000 Z=0.96790000
      -2: X=0.87500000 Y=0.37500000 Z=0.28210000
      -2: X=0.12500000 Y=0.12500000 Z=0.21790000
Be         NPT=  781  R0=.000100000 RMT= 1.39        Z:   4.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -3: X=0.12500000 Y=0.33970000 Z=0.12500000
          MULT= 4          ISPLIT= 8
      -3: X=0.87500000 Y=0.66030000 Z=0.87500000
      -3: X=0.37500000 Y=0.58970000 Z=0.87500000
      -3: X=0.12500000 Y=0.91030000 Z=0.12500000
B          NPT=  781  R0=.000100000 RMT= 1.19        Z:   5.00000              
LOCAL ROT MATRIX:    0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
                     1.0000000 0.0000000 0.0000000
ATOM  -4: X=0.12500000 Y=0.02730000 Z=0.12500000
          MULT= 4          ISPLIT= 8
      -4: X=0.87500000 Y=0.97270000 Z=0.87500000
      -4: X=0.37500000 Y=0.27730000 Z=0.87500000
      -4: X=0.12500000 Y=0.22270000 Z=0.12500000
O          NPT=  781  R0=.000100000 RMT= 1.38        Z:   8.00000              
LOCAL ROT MATRIX:    0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
                     1.0000000 0.0000000 0.0000000
ATOM  -5: X=0.16720000 Y=0.39800000 Z=0.03590000
          MULT= 8          ISPLIT= 8
      -5: X=0.83280000 Y=0.60200000 Z=0.96410000
      -5: X=0.41720000 Y=0.64800000 Z=0.96410000
      -5: X=0.08280000 Y=0.85200000 Z=0.03590000
      -5: X=0.83280000 Y=0.64800000 Z=0.28590000
      -5: X=0.16720000 Y=0.85200000 Z=0.21410000
      -5: X=0.08280000 Y=0.39800000 Z=0.21410000
      -5: X=0.41720000 Y=0.60200000 Z=0.28590000
O          NPT=  781  R0=.000100000 RMT= 1.38        Z:   8.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000