P   LATTICE,NONEQUIV.ATOMS  10    4 P21                                        
MODE OF CALC=RELA unit=bohr                                                    
 18.358122 12.528506 14.410485 90.000000 90.000000 91.426000                   
ATOM  -1: X=0.00585000 Y=0.19166000 Z=0.71658000
          MULT= 2          ISPLIT= 8
      -1: X=0.99415000 Y=0.80834000 Z=0.21658000
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=0.31649000 Z=0.00000000
          MULT= 2          ISPLIT= 8
      -2: X=0.51856000 Y=0.68351000 Z=0.50000000
In         NPT=  781  R0=.000010000 RMT= 2.50000     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  -3: X=0.32410000 Y=0.41530000 Z=0.61190000
          MULT= 2          ISPLIT= 8
      -3: X=0.67590000 Y=0.58470000 Z=0.11190000
S          NPT=  781  R0=.000100000 RMT= 1.90        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=0.00300000 Y=0.32580000 Z=0.28290000
          MULT= 2          ISPLIT= 8
      -4: X=0.99700000 Y=0.67420000 Z=0.78290000
S          NPT=  781  R0=.000100000 RMT= 1.90        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=0.51890000 Y=0.17210000 Z=0.30720000
          MULT= 2          ISPLIT= 8
      -5: X=0.48110000 Y=0.82790000 Z=0.80720000
S          NPT=  781  R0=.000100000 RMT= 1.90        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=0.23270000 Y=0.08610000 Z=0.01540000
          MULT= 2          ISPLIT= 8
      -6: X=0.76730000 Y=0.91390000 Z=0.51540000
S          NPT=  781  R0=.000100000 RMT= 1.90        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=0.75220000 Y=0.06820000 Z=0.01010000
          MULT= 2          ISPLIT= 8
      -7: X=0.24780000 Y=0.93180000 Z=0.51010000
S          NPT=  781  R0=.000100000 RMT= 1.90        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=0.30220000 Y=0.55580000 Z=0.12320000
          MULT= 2          ISPLIT= 8
      -8: X=0.69780000 Y=0.44420000 Z=0.62320000
S          NPT=  781  R0=.000100000 RMT= 1.90        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=0.19371000 Y=0.29660000 Z=0.20070000
          MULT= 2          ISPLIT= 8
      -9: X=0.80629000 Y=0.70340000 Z=0.70070000
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=0.32530000 Y=0.19460000 Z=0.42190000
          MULT= 2          ISPLIT= 8
     -10: X=0.67470000 Y=0.80540000 Z=0.92190000
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