P   LATTICE,NONEQUIV.ATOMS  10    4 P21                                        
MODE OF CALC=RELA unit=bohr                                                    
 18.271006 12.465012 14.338297 90.000000 90.000000 91.457000                   
ATOM  -1: X=0.00569000 Y=0.19162000 Z=0.71621000
          MULT= 2          ISPLIT= 8
      -1: X=0.99431000 Y=0.80838000 Z=0.21621000
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=0.48144000 Y=0.31641000 Z=0.00000000
          MULT= 2          ISPLIT= 8
      -2: X=0.51856000 Y=0.68359000 Z=0.50000000
Sb         NPT=  781  R0=.000010000 RMT= 2.50000     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  -3: X=0.32450000 Y=0.41590000 Z=0.61210000
          MULT= 2          ISPLIT= 8
      -3: X=0.67550000 Y=0.58410000 Z=0.11210000
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=0.23340000 Y=0.08630000 Z=0.01530000
          MULT= 2          ISPLIT= 8
      -4: X=0.76660000 Y=0.91370000 Z=0.51530000
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=0.51870000 Y=0.17230000 Z=0.30680000
          MULT= 2          ISPLIT= 8
      -5: X=0.48130000 Y=0.82770000 Z=0.80680000
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  -6: X=0.30170000 Y=0.55530000 Z=0.12310000
          MULT= 2          ISPLIT= 8
      -6: X=0.69830000 Y=0.44470000 Z=0.62310000
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  -7: X=0.75200000 Y=0.06880000 Z=0.00970000
          MULT= 2          ISPLIT= 8
      -7: X=0.24800000 Y=0.93120000 Z=0.50970000
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  -8: X=0.00290000 Y=0.32560000 Z=0.28360000
          MULT= 2          ISPLIT= 8
      -8: X=0.99710000 Y=0.67440000 Z=0.78360000
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  -9: X=0.19370000 Y=0.29700000 Z=0.20110000
          MULT= 2          ISPLIT= 8
      -9: X=0.80630000 Y=0.70300000 Z=0.70110000
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 -10: X=0.32510000 Y=0.19480000 Z=0.42310000
          MULT= 2          ISPLIT= 8
     -10: X=0.67490000 Y=0.80520000 Z=0.92310000
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