B   LATTICE,NONEQUIV.ATOMS   6   82 I-4                                        
MODE OF CALC=RELA unit=bohr                                                    
 24.018419 24.018419 14.815453 90.000000 90.000000 90.000000                   
ATOM  -1: X=0.22510000 Y=0.45210000 Z=0.22590000
          MULT= 4          ISPLIT= 8
      -1: X=0.45210000 Y=0.77490000 Z=0.77410000
      -1: X=0.77490000 Y=0.54790000 Z=0.22590000
      -1: X=0.54790000 Y=0.22510000 Z=0.77410000
Ta         NPT=  781  R0=.000005000 RMT= 1.99        Z:  73.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -2: X=0.08400000 Y=0.36200000 Z=0.25300000
          MULT= 4          ISPLIT= 8
      -2: X=0.36200000 Y=0.91600000 Z=0.74700000
      -2: X=0.91600000 Y=0.63800000 Z=0.25300000
      -2: X=0.63800000 Y=0.08400000 Z=0.74700000
F          NPT=  781  R0=.000100000 RMT= 1.80        Z:   9.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -3: X=0.30550000 Y=0.28840000 Z=0.22230000
          MULT= 4          ISPLIT= 8
      -3: X=0.28840000 Y=0.69450000 Z=0.77770000
      -3: X=0.69450000 Y=0.71160000 Z=0.22230000
      -3: X=0.71160000 Y=0.30550000 Z=0.77770000
Cl         NPT=  781  R0=.000100000 RMT= 1.98        Z:  17.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -4: X=0.06320000 Y=0.13240000 Z=0.28180000
          MULT= 4          ISPLIT= 8
      -4: X=0.13240000 Y=0.93680000 Z=0.71820000
      -4: X=0.93680000 Y=0.86760000 Z=0.28180000
      -4: X=0.86760000 Y=0.06320000 Z=0.71820000
Cl         NPT=  781  R0=.000100000 RMT= 1.98        Z:  17.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -5: X=0.28600000 Y=0.04560000 Z=0.43480000
          MULT= 4          ISPLIT= 8
      -5: X=0.04560000 Y=0.71400000 Z=0.56520000
      -5: X=0.71400000 Y=0.95440000 Z=0.43480000
      -5: X=0.95440000 Y=0.28600000 Z=0.56520000
Cl         NPT=  781  R0=.000100000 RMT= 1.98        Z:  17.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -6: X=0.28090000 Y=0.04590000 Z=0.01610000
          MULT= 4          ISPLIT= 8
      -6: X=0.04590000 Y=0.71910000 Z=0.98390000
      -6: X=0.71910000 Y=0.95410000 Z=0.01610000
      -6: X=0.95410000 Y=0.28090000 Z=0.98390000
Cl         NPT=  781  R0=.000100000 RMT= 1.98        Z:  17.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000