CXZ LATTICE,NONEQUIV.ATOMS   9   15 B2/b                                       
MODE OF CALC=RELA unit=bohr                                                    
 20.673604 28.610454 20.692501 90.000000 90.000000 80.000000                   
ATOM  -1: X=0.53400000 Y=0.11400000 Z=0.31300000
          MULT= 4          ISPLIT= 8
      -1: X=0.46600000 Y=0.88600000 Z=0.68700000
      -1: X=0.46600000 Y=0.38600000 Z=0.31300000
      -1: X=0.53400000 Y=0.61400000 Z=0.68700000
Tl         NPT=  781  R0=.000005000 RMT= 2.50000     Z:  81.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -2: X=0.71600000 Y=0.38600000 Z=0.06200000
          MULT= 4          ISPLIT= 8
      -2: X=0.28400000 Y=0.61400000 Z=0.93800000
      -2: X=0.28400000 Y=0.11400000 Z=0.06200000
      -2: X=0.71600000 Y=0.88600000 Z=0.93800000
Tl         NPT=  781  R0=.000005000 RMT= 2.50000     Z:  81.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -3: X=0.89900000 Y=0.15700000 Z=0.18800000
          MULT= 4          ISPLIT= 8
      -3: X=0.10100000 Y=0.84300000 Z=0.81200000
      -3: X=0.10100000 Y=0.34300000 Z=0.18800000
      -3: X=0.89900000 Y=0.65700000 Z=0.81200000
In         NPT=  781  R0=.000010000 RMT= 2.49        Z:  49.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -4: X=0.85200000 Y=0.34300000 Z=0.43600000
          MULT= 4          ISPLIT= 8
      -4: X=0.14800000 Y=0.65700000 Z=0.56400000
      -4: X=0.14800000 Y=0.15700000 Z=0.43600000
      -4: X=0.85200000 Y=0.84300000 Z=0.56400000
In         NPT=  781  R0=.000010000 RMT= 2.49        Z:  49.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -5: X=0.00000000 Y=0.25000000 Z=0.05200000
          MULT= 2          ISPLIT= 8
      -5: X=0.00000000 Y=0.75000000 Z=0.94800000
S          NPT=  781  R0=.000100000 RMT= 2.04        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  -6: X=0.00000000 Y=0.25000000 Z=0.57000000
          MULT= 2          ISPLIT= 8
      -6: X=0.00000000 Y=0.75000000 Z=0.43000000
S          NPT=  781  R0=.000100000 RMT= 2.04        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  -7: X=0.74000000 Y=0.25100000 Z=0.31400000
          MULT= 4          ISPLIT= 8
      -7: X=0.26000000 Y=0.74900000 Z=0.68600000
      -7: X=0.26000000 Y=0.24900000 Z=0.31400000
      -7: X=0.74000000 Y=0.75100000 Z=0.68600000
S          NPT=  781  R0=.000100000 RMT= 2.04        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  -8: X=0.95300000 Y=0.44100000 Z=0.31300000
          MULT= 4          ISPLIT= 8
      -8: X=0.04700000 Y=0.55900000 Z=0.68700000
      -8: X=0.04700000 Y=0.05900000 Z=0.31300000
      -8: X=0.95300000 Y=0.94100000 Z=0.68700000
S          NPT=  781  R0=.000100000 RMT= 2.04        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  -9: X=0.79700000 Y=0.06000000 Z=0.06300000
          MULT= 4          ISPLIT= 8
      -9: X=0.20300000 Y=0.94000000 Z=0.93700000
      -9: X=0.20300000 Y=0.44000000 Z=0.06300000
      -9: X=0.79700000 Y=0.56000000 Z=0.93700000
S          NPT=  781  R0=.000100000 RMT= 2.04        Z:  16.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000