P   LATTICE,NONEQUIV.ATOMS  11   11 P21/m                                      
MODE OF CALC=RELA unit=bohr                                                    
 20.254085 12.428729  7.203636 90.000000 90.000000 98.270000                   
ATOM  -1: X=0.84874000 Y=0.99367000 Z=0.25000000
          MULT= 2          ISPLIT= 8
      -1: X=0.15126000 Y=0.00633000 Z=0.75000000
Pb         NPT=  781  R0=.000005000 RMT= 2.44        Z:  82.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -2: X=0.09990000 Y=0.44620000 Z=0.25000000
          MULT= 2          ISPLIT= 8
      -2: X=0.90010000 Y=0.55380000 Z=0.75000000
Ti         NPT=  781  R0=.000050000 RMT= 1.70        Z:  22.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -3: X=0.43600000 Y=0.30450000 Z=0.25000000
          MULT= 2          ISPLIT= 8
      -3: X=0.56400000 Y=0.69550000 Z=0.75000000
Ti         NPT=  781  R0=.000050000 RMT= 1.70        Z:  22.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -4: X=0.34290000 Y=0.74410000 Z=0.25000000
          MULT= 2          ISPLIT= 8
      -4: X=0.65710000 Y=0.25590000 Z=0.75000000
Ti         NPT=  781  R0=.000050000 RMT= 1.70        Z:  22.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -5: X=0.92410000 Y=0.52340000 Z=0.25000000
          MULT= 2          ISPLIT= 8
      -5: X=0.07590000 Y=0.47660000 Z=0.75000000
O          NPT=  781  R0=.000100000 RMT= 1.54        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=0.61740000 Y=0.26040000 Z=0.25000000
          MULT= 2          ISPLIT= 8
      -6: X=0.38260000 Y=0.73960000 Z=0.75000000
O          NPT=  781  R0=.000100000 RMT= 1.54        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=0.51970000 Y=0.64650000 Z=0.25000000
          MULT= 2          ISPLIT= 8
      -7: X=0.48030000 Y=0.35350000 Z=0.75000000
O          NPT=  781  R0=.000100000 RMT= 1.54        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  -8: X=0.05630000 Y=0.17160000 Z=0.25000000
          MULT= 2          ISPLIT= 8
      -8: X=0.94370000 Y=0.82840000 Z=0.75000000
O          NPT=  781  R0=.000100000 RMT= 1.54        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  -9: X=0.37420000 Y=0.04740000 Z=0.25000000
          MULT= 2          ISPLIT= 8
      -9: X=0.62580000 Y=0.95260000 Z=0.75000000
O          NPT=  781  R0=.000100000 RMT= 1.54        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 -10: X=0.28840000 Y=0.43980000 Z=0.25000000
          MULT= 2          ISPLIT= 8
     -10: X=0.71160000 Y=0.56020000 Z=0.75000000
O          NPT=  781  R0=.000100000 RMT= 1.54        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 -11: X=0.17490000 Y=0.75730000 Z=0.25000000
          MULT= 2          ISPLIT= 8
     -11: X=0.82510000 Y=0.24270000 Z=0.75000000
O          NPT=  781  R0=.000100000 RMT= 1.54        Z:   8.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000