P   LATTICE,NONEQUIV.ATOMS   6   33 Pna21                                      
MODE OF CALC=RELA unit=bohr                                                    
 10.472862  9.289894 22.260974 90.000000 90.000000 90.000000                   
ATOM  -1: X=0.00000000 Y=0.04000000 Z=0.00000000
          MULT= 4          ISPLIT= 8
      -1: X=0.00000000 Y=0.96000000 Z=0.50000000
      -1: X=0.50000000 Y=0.54000000 Z=0.50000000
      -1: X=0.50000000 Y=0.46000000 Z=0.00000000
Sb         NPT=  781  R0=.000010000 RMT= 2.35        Z:  51.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -2: X=0.37500000 Y=0.00000000 Z=0.25000000
          MULT= 4          ISPLIT= 8
      -2: X=0.62500000 Y=0.00000000 Z=0.75000000
      -2: X=0.12500000 Y=0.50000000 Z=0.75000000
      -2: X=0.87500000 Y=0.50000000 Z=0.25000000
Ta         NPT=  781  R0=.000005000 RMT= 2.08        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  -3: X=0.17000000 Y=0.34000000 Z=0.59000000
          MULT= 4          ISPLIT= 8
      -3: X=0.83000000 Y=0.66000000 Z=0.09000000
      -3: X=0.33000000 Y=0.84000000 Z=0.09000000
      -3: X=0.67000000 Y=0.16000000 Z=0.59000000
O          NPT=  781  R0=.000100000 RMT= 1.79        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=0.12000000 Y=0.25000000 Z=0.17000000
          MULT= 4          ISPLIT= 8
      -4: X=0.88000000 Y=0.75000000 Z=0.67000000
      -4: X=0.38000000 Y=0.75000000 Z=0.67000000
      -4: X=0.62000000 Y=0.25000000 Z=0.17000000
O          NPT=  781  R0=.000100000 RMT= 1.79        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=0.12000000 Y=0.75000000 Z=0.33000000
          MULT= 4          ISPLIT= 8
      -5: X=0.88000000 Y=0.25000000 Z=0.83000000
      -5: X=0.38000000 Y=0.25000000 Z=0.83000000
      -5: X=0.62000000 Y=0.75000000 Z=0.33000000
O          NPT=  781  R0=.000100000 RMT= 1.79        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  -6: X=0.33000000 Y=0.16000000 Z=0.41000000
          MULT= 4          ISPLIT= 8
      -6: X=0.67000000 Y=0.84000000 Z=0.91000000
      -6: X=0.17000000 Y=0.66000000 Z=0.91000000
      -6: X=0.83000000 Y=0.34000000 Z=0.41000000
O          NPT=  781  R0=.000100000 RMT= 1.79        Z:   8.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000