P   LATTICE,NONEQUIV.ATOMS  13   11 P21/m                                      
MODE OF CALC=RELA unit=bohr                                                    
 33.595551 17.863581  7.684949 90.000000 90.000000100.990000                   
ATOM  -1: X=0.27169000 Y=0.47752000 Z=0.25000000
          MULT= 2          ISPLIT= 8
      -1: X=0.72831000 Y=0.52248000 Z=0.75000000
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=0.12316000 Y=0.06676000 Z=0.25000000
          MULT= 2          ISPLIT= 8
      -2: X=0.87684000 Y=0.93324000 Z=0.75000000
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=0.18699000 Y=0.82224000 Z=0.25000000
          MULT= 2          ISPLIT= 8
      -3: X=0.81301000 Y=0.17776000 Z=0.75000000
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  -4: X=0.60368000 Y=0.01502000 Z=0.25000000
          MULT= 2          ISPLIT= 8
      -4: X=0.39632000 Y=0.98498000 Z=0.75000000
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  -5: X=0.46566000 Y=0.33046000 Z=0.25000000
          MULT= 2          ISPLIT= 8
      -5: X=0.53434000 Y=0.66954000 Z=0.75000000
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  -6: X=0.95285000 Y=0.64704000 Z=0.25000000
          MULT= 2          ISPLIT= 8
      -6: X=0.04715000 Y=0.35296000 Z=0.75000000
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  -7: X=0.99311000 Y=0.16342000 Z=0.25000000
          MULT= 2          ISPLIT= 8
      -7: X=0.00689000 Y=0.83658000 Z=0.75000000
Se         NPT=  781  R0=.000050000 RMT= 2.41        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=0.34214000 Y=0.12220000 Z=0.25000000
          MULT= 2          ISPLIT= 8
      -8: X=0.65786000 Y=0.87780000 Z=0.75000000
Se         NPT=  781  R0=.000050000 RMT= 2.41        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=0.72752000 Y=0.23714000 Z=0.25000000
          MULT= 2          ISPLIT= 8
      -9: X=0.27248000 Y=0.76286000 Z=0.75000000
Se         NPT=  781  R0=.000050000 RMT= 2.41        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 -10: X=0.09175000 Y=0.55720000 Z=0.25000000
          MULT= 2          ISPLIT= 8
     -10: X=0.90825000 Y=0.44280000 Z=0.75000000
Se         NPT=  781  R0=.000050000 RMT= 2.41        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 -11: X=0.82205000 Y=0.75652000 Z=0.25000000
          MULT= 2          ISPLIT= 8
     -11: X=0.17795000 Y=0.24348000 Z=0.75000000
Se         NPT=  781  R0=.000050000 RMT= 2.41        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 -12: X=0.59184000 Y=0.52885000 Z=0.25000000
          MULT= 2          ISPLIT= 8
     -12: X=0.40816000 Y=0.47115000 Z=0.75000000
Se         NPT=  781  R0=.000050000 RMT= 2.41        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 -13: X=0.46653000 Y=0.82981000 Z=0.25000000
          MULT= 2          ISPLIT= 8
     -13: X=0.53347000 Y=0.17019000 Z=0.75000000
Se         NPT=  781  R0=.000050000 RMT= 2.41        Z:  34.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000