P   LATTICE,NONEQUIV.ATOMS   6   11 P21/m                                      
MODE OF CALC=RELA unit=bohr                                                    
 19.418070 14.958883  7.115008 90.000000 90.000000 97.476000                   
ATOM  -1: X=0.66029000 Y=0.06374000 Z=0.25000000
          MULT= 2          ISPLIT= 8
      -1: X=0.33971000 Y=0.93626000 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=0.00227000 Y=0.75009000 Z=0.25000000
          MULT= 2          ISPLIT= 8
      -2: X=0.99773000 Y=0.24991000 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=0.33548000 Y=0.41111000 Z=0.25000000
          MULT= 2          ISPLIT= 8
      -3: X=0.66452000 Y=0.58889000 Z=0.75000000
Zr         NPT=  781  R0=.000010000 RMT= 2.48        Z:  40.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -4: X=0.19270000 Y=0.13620000 Z=0.25000000
          MULT= 2          ISPLIT= 8
      -4: X=0.80730000 Y=0.86380000 Z=0.75000000
S          NPT=  781  R0=.000100000 RMT= 2.14        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=0.78680000 Y=0.45650000 Z=0.25000000
          MULT= 2          ISPLIT= 8
      -5: X=0.21320000 Y=0.54350000 Z=0.75000000
S          NPT=  781  R0=.000100000 RMT= 2.14        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  -6: X=0.51506000 Y=0.68880000 Z=0.25000000
          MULT= 2          ISPLIT= 8
      -6: X=0.48494000 Y=0.31120000 Z=0.75000000
S          NPT=  781  R0=.000100000 RMT= 2.14        Z:  16.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000