P   LATTICE,NONEQUIV.ATOMS  12   11 P21/m                                      
MODE OF CALC=RELA unit=bohr                                                    
 32.990839 16.622031  7.394309 90.000000 90.000000 94.710000                   
ATOM  -1: X=0.28320000 Y=0.37860000 Z=0.25000000
          MULT= 2          ISPLIT= 8
      -1: X=0.71680000 Y=0.62140000 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=0.95490000 Y=0.66650000 Z=0.25000000
          MULT= 2          ISPLIT= 8
      -2: X=0.04510000 Y=0.33350000 Z=0.75000000
In         NPT=  781  R0=.000010000 RMT= 2.50000     Z:  49.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -3: X=0.18620000 Y=0.76810000 Z=0.25000000
          MULT= 2          ISPLIT= 8
      -3: X=0.81380000 Y=0.23190000 Z=0.75000000
In         NPT=  781  R0=.000010000 RMT= 2.50000     Z:  49.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -4: X=0.11690000 Y=0.03350000 Z=0.25000000
          MULT= 2          ISPLIT= 8
      -4: X=0.88310000 Y=0.96650000 Z=0.75000000
In         NPT=  781  R0=.000010000 RMT= 2.50000     Z:  49.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -5: X=0.61410000 Y=0.11440000 Z=0.25000000
          MULT= 2          ISPLIT= 8
      -5: X=0.38590000 Y=0.88560000 Z=0.75000000
In         NPT=  781  R0=.000010000 RMT= 2.50000     Z:  49.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -6: X=0.49520000 Y=0.30320000 Z=0.25000000
          MULT= 2          ISPLIT= 8
      -6: X=0.50480000 Y=0.69680000 Z=0.75000000
In         NPT=  781  R0=.000010000 RMT= 2.50000     Z:  49.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -7: X=0.83120000 Y=0.79830000 Z=0.25000000
          MULT= 2          ISPLIT= 8
      -7: X=0.16880000 Y=0.20170000 Z=0.75000000
S          NPT=  781  R0=.000100000 RMT= 2.10        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  -8: X=0.99380000 Y=0.16340000 Z=0.25000000
          MULT= 2          ISPLIT= 8
      -8: X=0.00620000 Y=0.83660000 Z=0.75000000
S          NPT=  781  R0=.000100000 RMT= 2.10        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  -9: X=0.73440000 Y=0.30830000 Z=0.25000000
          MULT= 2          ISPLIT= 8
      -9: X=0.26560000 Y=0.69170000 Z=0.75000000
S          NPT=  781  R0=.000100000 RMT= 2.10        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 -10: X=0.57490000 Y=0.59790000 Z=0.25000000
          MULT= 2          ISPLIT= 8
     -10: X=0.42510000 Y=0.40210000 Z=0.75000000
S          NPT=  781  R0=.000100000 RMT= 2.10        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 -11: X=0.08800000 Y=0.53370000 Z=0.25000000
          MULT= 2          ISPLIT= 8
     -11: X=0.91200000 Y=0.46630000 Z=0.75000000
S          NPT=  781  R0=.000100000 RMT= 2.10        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 -12: X=0.36540000 Y=0.05100000 Z=0.25000000
          MULT= 2          ISPLIT= 8
     -12: X=0.63460000 Y=0.94900000 Z=0.75000000
S          NPT=  781  R0=.000100000 RMT= 2.10        Z:  16.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000