P   LATTICE,NONEQUIV.ATOMS   8   62 Pnma                                       
MODE OF CALC=RELA unit=bohr                                                    
 36.757063 22.986629 12.436288 90.000000 90.000000 90.000000                   
ATOM  -1: X=0.45565000 Y=0.11826000 Z=0.02060000
          MULT= 8          ISPLIT= 8
      -1: X=0.54435000 Y=0.88174000 Z=0.97940000
      -1: X=0.95565000 Y=0.11826000 Z=0.47940000
      -1: X=0.04435000 Y=0.88174000 Z=0.52060000
      -1: X=0.04435000 Y=0.61826000 Z=0.52060000
      -1: X=0.95565000 Y=0.38174000 Z=0.47940000
      -1: X=0.54435000 Y=0.61826000 Z=0.97940000
      -1: X=0.45565000 Y=0.38174000 Z=0.02060000
Pb         NPT=  781  R0=.000005000 RMT= 2.50000     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=0.30651000 Y=0.25000000 Z=0.06030000
          MULT= 4          ISPLIT= 8
      -2: X=0.69349000 Y=0.75000000 Z=0.93970000
      -2: X=0.80651000 Y=0.25000000 Z=0.43970000
      -2: X=0.19349000 Y=0.75000000 Z=0.56030000
Pb         NPT=  781  R0=.000005000 RMT= 2.50000     Z:  82.00000              
LOCAL ROT MATRIX:    0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
                     1.0000000 0.0000000 0.0000000
ATOM  -3: X=0.04330000 Y=0.25000000 Z=0.24100000
          MULT= 4          ISPLIT= 8
      -3: X=0.95670000 Y=0.75000000 Z=0.75900000
      -3: X=0.54330000 Y=0.25000000 Z=0.25900000
      -3: X=0.45670000 Y=0.75000000 Z=0.74100000
As         NPT=  781  R0=.000050000 RMT= 2.46        Z:  33.00000              
LOCAL ROT MATRIX:    0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
                     1.0000000 0.0000000 0.0000000
ATOM  -4: X=0.34740000 Y=0.05340000 Z=0.26390000
          MULT= 8          ISPLIT= 8
      -4: X=0.65260000 Y=0.94660000 Z=0.73610000
      -4: X=0.84740000 Y=0.05340000 Z=0.23610000
      -4: X=0.15260000 Y=0.94660000 Z=0.76390000
      -4: X=0.15260000 Y=0.55340000 Z=0.76390000
      -4: X=0.84740000 Y=0.44660000 Z=0.23610000
      -4: X=0.65260000 Y=0.55340000 Z=0.73610000
      -4: X=0.34740000 Y=0.44660000 Z=0.26390000
As         NPT=  781  R0=.000050000 RMT= 2.46        Z:  33.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -5: X=0.00000000 Y=0.00000000 Z=0.00000000
          MULT= 4          ISPLIT= 8
      -5: X=0.50000000 Y=0.00000000 Z=0.50000000
      -5: X=0.50000000 Y=0.50000000 Z=0.50000000
      -5: X=0.00000000 Y=0.50000000 Z=0.00000000
K          NPT=  781  R0=.000050000 RMT= 2.50000     Z:  19.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -6: X=0.39670000 Y=0.25000000 Z=0.55000000
          MULT= 4          ISPLIT= 8
      -6: X=0.60330000 Y=0.75000000 Z=0.45000000
      -6: X=0.89670000 Y=0.25000000 Z=0.95000000
      -6: X=0.10330000 Y=0.75000000 Z=0.05000000
K          NPT=  781  R0=.000050000 RMT= 2.50000     Z:  19.00000              
LOCAL ROT MATRIX:    0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
                     1.0000000 0.0000000 0.0000000
ATOM  -7: X=0.17880000 Y=0.04550000 Z=0.27070000
          MULT= 8          ISPLIT= 8
      -7: X=0.82120000 Y=0.95450000 Z=0.72930000
      -7: X=0.67880000 Y=0.04550000 Z=0.22930000
      -7: X=0.32120000 Y=0.95450000 Z=0.77070000
      -7: X=0.32120000 Y=0.54550000 Z=0.77070000
      -7: X=0.67880000 Y=0.45450000 Z=0.22930000
      -7: X=0.82120000 Y=0.54550000 Z=0.72930000
      -7: X=0.17880000 Y=0.45450000 Z=0.27070000
K          NPT=  781  R0=.000050000 RMT= 2.50000     Z:  19.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -8: X=0.13150000 Y=0.25000000 Z=0.73900000
          MULT= 4          ISPLIT= 8
      -8: X=0.86850000 Y=0.75000000 Z=0.26100000
      -8: X=0.63150000 Y=0.25000000 Z=0.76100000
      -8: X=0.36850000 Y=0.75000000 Z=0.23900000
K          NPT=  781  R0=.000050000 RMT= 2.50000     Z:  19.00000              
LOCAL ROT MATRIX:    0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
                     1.0000000 0.0000000 0.0000000