F   LATTICE,NONEQUIV.ATOMS   5   70 Fddd    
MODE OF CALC=RELA unit=bohr
 18.201464 18.561835 37.508607 90.000000 90.000000 90.000000
ATOM  -1: X=0.12500000 Y=0.12500000 Z=0.43770000
          MULT= 4          ISPLIT=15
      -1: X=0.87500000 Y=0.87500000 Z=0.56230000
      -1: X=0.87500000 Y=0.37500000 Z=0.68770000
      -1: X=0.12500000 Y=0.12500000 Z=0.81230000
U          NPT=  781  R0=.000005000 RMT=   2.00000   Z:  92.00000
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=0.00000000 Z=0.00000000
          MULT= 4          ISPLIT=15
      -2: X=0.25000000 Y=0.25000000 Z=0.00000000
      -2: X=0.00000000 Y=0.25000000 Z=0.25000000
      -2: X=0.25000000 Y=0.00000000 Z=0.25000000
U          NPT=  781  R0=.000005000 RMT=   2.00000   Z:  92.00000
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -3: X=0.27980000 Y=0.27340000 Z=0.09290000
          MULT= 8          ISPLIT=15
      -3: X=0.72020000 Y=0.72660000 Z=0.90710000
      -3: X=0.52980000 Y=0.52340000 Z=0.90710000
      -3: X=0.97020000 Y=0.97660000 Z=0.09290000
      -3: X=0.72020000 Y=0.52340000 Z=0.34290000
      -3: X=0.27980000 Y=0.97660000 Z=0.15710000
      -3: X=0.97020000 Y=0.27340000 Z=0.15710000
      -3: X=0.52980000 Y=0.72660000 Z=0.34290000
O          NPT=  781  R0=.000100000 RMT=   2.00000   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=0.02210000 Y=0.21710000 Z=0.01550000
          MULT= 8          ISPLIT=15
      -4: X=0.97790000 Y=0.78290000 Z=0.98450000
      -4: X=0.27210000 Y=0.46710000 Z=0.98450000
      -4: X=0.22790000 Y=0.03290000 Z=0.01550000
      -4: X=0.97790000 Y=0.46710000 Z=0.26550000
      -4: X=0.02210000 Y=0.03290000 Z=0.23450000
      -4: X=0.22790000 Y=0.21710000 Z=0.23450000
      -4: X=0.27210000 Y=0.78290000 Z=0.26550000
O          NPT=  781  R0=.000100000 RMT=   2.00000   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  -5: X=0.01230000 Y=0.49370000 Z=0.06320000
          MULT= 8          ISPLIT=15
      -5: X=0.98770000 Y=0.50630000 Z=0.93680000
      -5: X=0.26230000 Y=0.74370000 Z=0.93680000
      -5: X=0.23770000 Y=0.75630000 Z=0.06320000
      -5: X=0.98770000 Y=0.74370000 Z=0.31320000
      -5: X=0.01230000 Y=0.75630000 Z=0.18680000
      -5: X=0.23770000 Y=0.49370000 Z=0.18680000
      -5: X=0.26230000 Y=0.50630000 Z=0.31320000
O          NPT=  781  R0=.000100000 RMT=   2.00000   Z:   8.00000
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000