P   LATTICE,NONEQUIV.ATOMS  13   11 P21/m                                      
MODE OF CALC=RELA unit=bohr                                                    
 32.709270 17.192917  7.358216 90.000000 90.000000102.180000                   
ATOM  -1: X=0.11935000 Y=0.06526000 Z=0.25000000
          MULT= 2          ISPLIT= 8
      -1: X=0.88065000 Y=0.93474000 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  -2: X=0.18872000 Y=0.82083000 Z=0.25000000
          MULT= 2          ISPLIT= 8
      -2: X=0.81128000 Y=0.17917000 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=0.60310000 Y=0.02279000 Z=0.25000000
          MULT= 2          ISPLIT= 8
      -3: X=0.39690000 Y=0.97721000 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=0.46723000 Y=0.32868000 Z=0.25000000
          MULT= 2          ISPLIT= 8
      -4: X=0.53277000 Y=0.67132000 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=0.27429000 Y=0.47432000 Z=0.25000000
          MULT= 2          ISPLIT= 8
      -5: X=0.72571000 Y=0.52568000 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  -6: X=0.95414000 Y=0.64470000 Z=0.25000000
          MULT= 2          ISPLIT= 8
      -6: X=0.04586000 Y=0.35530000 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=0.99339000 Y=0.16430000 Z=0.25000000
          MULT= 2          ISPLIT= 8
      -7: X=0.00661000 Y=0.83570000 Z=0.75000000
S          NPT=  781  R0=.000100000 RMT= 2.12        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=0.34722000 Y=0.11540000 Z=0.25000000
          MULT= 2          ISPLIT= 8
      -8: X=0.65278000 Y=0.88460000 Z=0.75000000
S          NPT=  781  R0=.000100000 RMT= 2.12        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=0.72845000 Y=0.23760000 Z=0.25000000
          MULT= 2          ISPLIT= 8
      -9: X=0.27155000 Y=0.76240000 Z=0.75000000
S          NPT=  781  R0=.000100000 RMT= 2.12        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=0.09023000 Y=0.55720000 Z=0.25000000
          MULT= 2          ISPLIT= 8
     -10: X=0.90977000 Y=0.44280000 Z=0.75000000
S          NPT=  781  R0=.000100000 RMT= 2.12        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=0.82851000 Y=0.75720000 Z=0.25000000
          MULT= 2          ISPLIT= 8
     -11: X=0.17149000 Y=0.24280000 Z=0.75000000
S          NPT=  781  R0=.000100000 RMT= 2.12        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=0.58880000 Y=0.53560000 Z=0.25000000
          MULT= 2          ISPLIT= 8
     -12: X=0.41120000 Y=0.46440000 Z=0.75000000
S          NPT=  781  R0=.000100000 RMT= 2.12        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 -13: X=0.46703000 Y=0.83040000 Z=0.25000000
          MULT= 2          ISPLIT= 8
     -13: X=0.53297000 Y=0.16960000 Z=0.75000000
S          NPT=  781  R0=.000100000 RMT= 2.12        Z:  16.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000