P   LATTICE,NONEQUIV.ATOMS  10    4 P21                                        
MODE OF CALC=RELA unit=bohr                                                    
 18.868726 12.931396 14.816587 90.000000 90.000000 90.768000                   
ATOM  -1: X=0.00307000 Y=0.18772000 Z=0.72077000
          MULT= 2          ISPLIT= 8
      -1: X=0.99693000 Y=0.81228000 Z=0.22077000
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=0.48350000 Y=0.31810000 Z=0.00000000
          MULT= 2          ISPLIT= 8
      -2: X=0.51650000 Y=0.68190000 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=0.76330000 Y=0.07710000 Z=0.01970000
          MULT= 2          ISPLIT= 8
      -3: X=0.23670000 Y=0.92290000 Z=0.51970000
Se         NPT=  781  R0=.000050000 RMT= 2.20        Z:  34.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -4: X=0.52240000 Y=0.15590000 Z=0.30490000
          MULT= 2          ISPLIT= 8
      -4: X=0.47760000 Y=0.84410000 Z=0.80490000
Se         NPT=  781  R0=.000050000 RMT= 2.20        Z:  34.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -5: X=0.22800000 Y=0.08330000 Z=0.01330000
          MULT= 2          ISPLIT= 8
      -5: X=0.77200000 Y=0.91670000 Z=0.51330000
Se         NPT=  781  R0=.000050000 RMT= 2.20        Z:  34.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -6: X=0.00630000 Y=0.66470000 Z=0.80310000
          MULT= 2          ISPLIT= 8
      -6: X=0.99370000 Y=0.33530000 Z=0.30310000
Se         NPT=  781  R0=.000050000 RMT= 2.20        Z:  34.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -7: X=0.30420000 Y=0.56680000 Z=0.12920000
          MULT= 2          ISPLIT= 8
      -7: X=0.69580000 Y=0.43320000 Z=0.62920000
Se         NPT=  781  R0=.000050000 RMT= 2.20        Z:  34.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -8: X=0.32020000 Y=0.42410000 Z=0.62310000
          MULT= 2          ISPLIT= 8
      -8: X=0.67980000 Y=0.57590000 Z=0.12310000
Se         NPT=  781  R0=.000050000 RMT= 2.20        Z:  34.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -9: X=0.19220000 Y=0.29950000 Z=0.21020000
          MULT= 2          ISPLIT= 8
      -9: X=0.80780000 Y=0.70050000 Z=0.71020000
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=0.32090000 Y=0.19490000 Z=0.42440000
          MULT= 2          ISPLIT= 8
     -10: X=0.67910000 Y=0.80510000 Z=0.92440000
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