P   LATTICE,NONEQUIV.ATOMS   5   11 P21/m                                      
MODE OF CALC=RELA unit=bohr                                                    
 12.948403 10.482311 19.084344 90.000000 90.000000 97.590000                   
ATOM  -1: X=0.51900000 Y=0.19120000 Z=0.25000000
          MULT= 2          ISPLIT= 8
      -1: X=0.48100000 Y=0.80880000 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=0.16730000 Y=0.26780000 Z=0.55820000
          MULT= 4          ISPLIT= 8
      -2: X=0.83270000 Y=0.73220000 Z=0.44180000
      -2: X=0.83270000 Y=0.73220000 Z=0.05820000
      -2: X=0.16730000 Y=0.26780000 Z=0.94180000
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=0.04880000 Y=0.30890000 Z=0.25000000
          MULT= 2          ISPLIT= 8
      -3: X=0.95120000 Y=0.69110000 Z=0.75000000
Se         NPT=  781  R0=.000050000 RMT= 2.05        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=0.33110000 Y=0.75040000 Z=0.08210000
          MULT= 4          ISPLIT= 8
      -4: X=0.66890000 Y=0.24960000 Z=0.91790000
      -4: X=0.66890000 Y=0.24960000 Z=0.58210000
      -4: X=0.33110000 Y=0.75040000 Z=0.41790000
Se         NPT=  781  R0=.000050000 RMT= 2.05        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=0.24600000 Y=0.60100000 Z=0.25000000
          MULT= 2          ISPLIT= 8
      -5: X=0.75400000 Y=0.39900000 Z=0.75000000
B          NPT=  781  R0=.000100000 RMT= 1.60        Z:   5.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000