F   LATTICE,NONEQUIV.ATOMS   5   43 Fdd2                                       
MODE OF CALC=RELA unit=bohr                                                    
 14.127593 20.800216 41.589093 90.000000 90.000000 90.000000                   
ATOM  -1: X=0.00000000 Y=0.00000000 Z=0.85010000
          MULT= 2          ISPLIT= 8
      -1: X=0.25000000 Y=0.25000000 Z=0.10010000
Hf         NPT=  781  R0=.000005000 RMT= 2.50000     Z:  72.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -2: X=0.38170000 Y=0.06340000 Z=0.19070000
          MULT= 4          ISPLIT= 8
      -2: X=0.61830000 Y=0.93660000 Z=0.19070000
      -2: X=0.86830000 Y=0.31340000 Z=0.44070000
      -2: X=0.63170000 Y=0.18660000 Z=0.44070000
P          NPT=  781  R0=.000100000 RMT= 1.80        Z:  15.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -3: X=0.01180000 Y=0.22400000 Z=0.01790000
          MULT= 4          ISPLIT= 8
      -3: X=0.98820000 Y=0.77600000 Z=0.01790000
      -3: X=0.23820000 Y=0.47400000 Z=0.26790000
      -3: X=0.26180000 Y=0.02600000 Z=0.26790000
S          NPT=  781  R0=.000100000 RMT= 1.89        Z:  16.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -4: X=0.23430000 Y=0.02230000 Z=0.11390000
          MULT= 4          ISPLIT= 8
      -4: X=0.76570000 Y=0.97770000 Z=0.11390000
      -4: X=0.01570000 Y=0.27230000 Z=0.36390000
      -4: X=0.48430000 Y=0.22770000 Z=0.36390000
S          NPT=  781  R0=.000100000 RMT= 1.89        Z:  16.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -5: X=0.00160000 Y=0.27040000 Z=0.17840000
          MULT= 4          ISPLIT= 8
      -5: X=0.99840000 Y=0.72960000 Z=0.17840000
      -5: X=0.24840000 Y=0.52040000 Z=0.42840000
      -5: X=0.25160000 Y=0.97960000 Z=0.42840000
S          NPT=  781  R0=.000100000 RMT= 1.89        Z:  16.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000