P   LATTICE,NONEQUIV.ATOMS   7   11 P21/m                                      
MODE OF CALC=RELA unit=bohr                                                    
 20.560220 14.380816  6.519555 90.000000 90.000000109.580000                   
ATOM  -1: X=0.36730000 Y=0.77380000 Z=0.25000000
          MULT= 2          ISPLIT= 8
      -1: X=0.63270000 Y=0.22620000 Z=0.75000000
Tl         NPT=  781  R0=.000005000 RMT= 2.27        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=0.35380000 Y=0.30590000 Z=0.25000000
          MULT= 2          ISPLIT= 8
      -2: X=0.64620000 Y=0.69410000 Z=0.75000000
Tl         NPT=  781  R0=.000005000 RMT= 2.27        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=0.86650000 Y=0.06990000 Z=0.25000000
          MULT= 2          ISPLIT= 8
      -3: X=0.13350000 Y=0.93010000 Z=0.75000000
Tl         NPT=  781  R0=.000005000 RMT= 2.27        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  -4: X=0.89140000 Y=0.57440000 Z=0.25000000
          MULT= 2          ISPLIT= 8
      -4: X=0.10860000 Y=0.42560000 Z=0.75000000
Tl         NPT=  781  R0=.000005000 RMT= 2.27        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  -5: X=0.11580000 Y=0.64430000 Z=0.25000000
          MULT= 2          ISPLIT= 8
      -5: X=0.88420000 Y=0.35570000 Z=0.75000000
O          NPT=  781  R0=.000100000 RMT= 1.86        Z:   8.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -6: X=0.67690000 Y=0.47070000 Z=0.25000000
          MULT= 2          ISPLIT= 8
      -6: X=0.32310000 Y=0.52930000 Z=0.75000000
O          NPT=  781  R0=.000100000 RMT= 1.86        Z:   8.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -7: X=0.09670000 Y=0.23810000 Z=0.25000000
          MULT= 2          ISPLIT= 8
      -7: X=0.90330000 Y=0.76190000 Z=0.75000000
O          NPT=  781  R0=.000100000 RMT= 1.86        Z:   8.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000