P   LATTICE,NONEQUIV.ATOMS   5   11 P21/m                                      
MODE OF CALC=RELA unit=bohr                                                    
 12.642268 10.287669 18.328454 90.000000 90.000000 98.130000                   
ATOM  -1: X=0.52540000 Y=0.17680000 Z=0.25000000
          MULT= 2          ISPLIT= 8
      -1: X=0.47460000 Y=0.82320000 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=0.17100000 Y=0.27020000 Z=0.55530000
          MULT= 4          ISPLIT= 8
      -2: X=0.82900000 Y=0.72980000 Z=0.44470000
      -2: X=0.82900000 Y=0.72980000 Z=0.05530000
      -2: X=0.17100000 Y=0.27020000 Z=0.94470000
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=0.06160000 Y=0.32280000 Z=0.25000000
          MULT= 2          ISPLIT= 8
      -3: X=0.93840000 Y=0.67720000 Z=0.75000000
S          NPT=  781  R0=.000100000 RMT= 1.80        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=0.32780000 Y=0.75390000 Z=0.08580000
          MULT= 4          ISPLIT= 8
      -4: X=0.67220000 Y=0.24610000 Z=0.91420000
      -4: X=0.67220000 Y=0.24610000 Z=0.58580000
      -4: X=0.32780000 Y=0.75390000 Z=0.41420000
S          NPT=  781  R0=.000100000 RMT= 1.80        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=0.24600000 Y=0.60400000 Z=0.25000000
          MULT= 2          ISPLIT= 8
      -5: X=0.75400000 Y=0.39600000 Z=0.75000000
B          NPT=  781  R0=.000100000 RMT= 1.63        Z:   5.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000