P   LATTICE,NONEQUIV.ATOMS   8    4 P21                                        
MODE OF CALC=RELA unit=bohr                                                    
 23.902768 17.266428  7.742208 90.000000 90.000000110.390000                   
ATOM  -1: X=0.14050000 Y=0.68520000 Z=0.25000000
          MULT= 2          ISPLIT= 8
      -1: X=0.85950000 Y=0.31480000 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=0.35510000 Y=0.05380000 Z=0.23770000
          MULT= 2          ISPLIT= 8
      -2: X=0.64490000 Y=0.94620000 Z=0.73770000
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=0.11250000 Y=0.18780000 Z=0.24600000
          MULT= 2          ISPLIT= 8
      -3: X=0.88750000 Y=0.81220000 Z=0.74600000
Sb         NPT=  781  R0=.000010000 RMT= 2.48        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  -4: X=0.38870000 Y=0.58100000 Z=0.24100000
          MULT= 2          ISPLIT= 8
      -4: X=0.61130000 Y=0.41900000 Z=0.74100000
Sb         NPT=  781  R0=.000010000 RMT= 2.48        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  -5: X=0.89590000 Y=0.06130000 Z=0.24200000
          MULT= 2          ISPLIT= 8
      -5: X=0.10410000 Y=0.93870000 Z=0.74200000
Se         NPT=  781  R0=.000050000 RMT= 2.36        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=0.39490000 Y=0.34420000 Z=0.74100000
          MULT= 2          ISPLIT= 8
      -6: X=0.60510000 Y=0.65580000 Z=0.24100000
Se         NPT=  781  R0=.000050000 RMT= 2.36        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=0.11840000 Y=0.39470000 Z=0.74900000
          MULT= 2          ISPLIT= 8
      -7: X=0.88160000 Y=0.60530000 Z=0.24900000
Se         NPT=  781  R0=.000050000 RMT= 2.36        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=0.60790000 Y=0.20850000 Z=0.24500000
          MULT= 2          ISPLIT= 8
      -8: X=0.39210000 Y=0.79150000 Z=0.74500000
Se         NPT=  781  R0=.000050000 RMT= 2.36        Z:  34.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000