P   LATTICE,NONEQUIV.ATOMS   6   11 P21/m                                      
MODE OF CALC=RELA unit=bohr                                                    
 20.073427 15.409583  7.334405 90.000000 90.000000 97.435000                   
ATOM  -1: X=0.65805000 Y=0.06445000 Z=0.25000000
          MULT= 2          ISPLIT= 8
      -1: X=0.34195000 Y=0.93555000 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=0.00293000 Y=0.74973000 Z=0.25000000
          MULT= 2          ISPLIT= 8
      -2: X=0.99707000 Y=0.25027000 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  -3: X=0.33423000 Y=0.40960000 Z=0.25000000
          MULT= 2          ISPLIT= 8
      -3: X=0.66577000 Y=0.59040000 Z=0.75000000
Hf         NPT=  781  R0=.000005000 RMT= 2.48        Z:  72.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -4: X=0.19044000 Y=0.13036000 Z=0.25000000
          MULT= 2          ISPLIT= 8
      -4: X=0.80956000 Y=0.86964000 Z=0.75000000
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  -5: X=0.78917000 Y=0.45271000 Z=0.25000000
          MULT= 2          ISPLIT= 8
      -5: X=0.21083000 Y=0.54729000 Z=0.75000000
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=0.51355000 Y=0.69076000 Z=0.25000000
          MULT= 2          ISPLIT= 8
      -6: X=0.48645000 Y=0.30924000 Z=0.75000000
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