P   LATTICE,NONEQUIV.ATOMS   9   57 Pbcm                                       
MODE OF CALC=RELA unit=bohr                                                    
  9.444662 10.601175 84.774626 90.000000 90.000000 90.000000                   
ATOM  -1: X=0.23728000 Y=0.26260000 Z=0.12487000
          MULT= 8          ISPLIT= 8
      -1: X=0.76272000 Y=0.73740000 Z=0.87513000
      -1: X=0.23728000 Y=0.26260000 Z=0.37513000
      -1: X=0.76272000 Y=0.73740000 Z=0.62487000
      -1: X=0.76272000 Y=0.76260000 Z=0.12487000
      -1: X=0.23728000 Y=0.23740000 Z=0.87513000
      -1: X=0.76272000 Y=0.76260000 Z=0.37513000
      -1: X=0.23728000 Y=0.23740000 Z=0.62487000
Pb         NPT=  781  R0=.000005000 RMT= 2.30        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=0.23728000 Y=0.25000000 Z=0.00000000
          MULT= 4          ISPLIT= 8
      -2: X=0.76272000 Y=0.75000000 Z=0.00000000
      -2: X=0.23728000 Y=0.25000000 Z=0.50000000
      -2: X=0.76272000 Y=0.75000000 Z=0.50000000
Pb         NPT=  781  R0=.000005000 RMT= 2.30        Z:  82.00000              
LOCAL ROT MATRIX:    0.0000000 0.0000000 1.0000000
                     1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
ATOM  -3: X=0.23728000 Y=0.23218000 Z=0.25000000
          MULT= 4          ISPLIT= 8
      -3: X=0.76272000 Y=0.76782000 Z=0.75000000
      -3: X=0.76272000 Y=0.73218000 Z=0.25000000
      -3: X=0.23728000 Y=0.26782000 Z=0.75000000
Pb         NPT=  781  R0=.000005000 RMT= 2.30        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  -4: X=0.23728000 Y=0.76646000 Z=0.06259000
          MULT= 8          ISPLIT= 8
      -4: X=0.76272000 Y=0.23354000 Z=0.93741000
      -4: X=0.23728000 Y=0.76646000 Z=0.43741000
      -4: X=0.76272000 Y=0.23354000 Z=0.56259000
      -4: X=0.76272000 Y=0.26646000 Z=0.06259000
      -4: X=0.23728000 Y=0.73354000 Z=0.93741000
      -4: X=0.76272000 Y=0.26646000 Z=0.43741000
      -4: X=0.23728000 Y=0.73354000 Z=0.56259000
Pb         NPT=  781  R0=.000005000 RMT= 2.30        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  -5: X=0.23728000 Y=0.74318000 Z=0.18759000
          MULT= 8          ISPLIT= 8
      -5: X=0.76272000 Y=0.25682000 Z=0.81241000
      -5: X=0.23728000 Y=0.74318000 Z=0.31241000
      -5: X=0.76272000 Y=0.25682000 Z=0.68759000
      -5: X=0.76272000 Y=0.24318000 Z=0.18759000
      -5: X=0.23728000 Y=0.75682000 Z=0.81241000
      -5: X=0.76272000 Y=0.24318000 Z=0.31241000
      -5: X=0.23728000 Y=0.75682000 Z=0.68759000
Pb         NPT=  781  R0=.000005000 RMT= 2.30        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  -6: X=0.02255000 Y=0.02098000 Z=0.15625000
          MULT= 8          ISPLIT= 8
      -6: X=0.97745000 Y=0.97902000 Z=0.84375000
      -6: X=0.02255000 Y=0.02098000 Z=0.34375000
      -6: X=0.97745000 Y=0.97902000 Z=0.65625000
      -6: X=0.97745000 Y=0.52098000 Z=0.15625000
      -6: X=0.02255000 Y=0.47902000 Z=0.84375000
      -6: X=0.97745000 Y=0.52098000 Z=0.34375000
      -6: X=0.02255000 Y=0.47902000 Z=0.65625000
O          NPT=  781  R0=.000100000 RMT= 1.88        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=0.02255000 Y=0.47902000 Z=0.21875000
          MULT= 8          ISPLIT= 8
      -7: X=0.97745000 Y=0.52098000 Z=0.78125000
      -7: X=0.02255000 Y=0.47902000 Z=0.28125000
      -7: X=0.97745000 Y=0.52098000 Z=0.71875000
      -7: X=0.97745000 Y=0.97902000 Z=0.21875000
      -7: X=0.02255000 Y=0.02098000 Z=0.78125000
      -7: X=0.97745000 Y=0.97902000 Z=0.28125000
      -7: X=0.02255000 Y=0.02098000 Z=0.71875000
O          NPT=  781  R0=.000100000 RMT= 1.88        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=0.02255000 Y=0.52098000 Z=0.09375000
          MULT= 8          ISPLIT= 8
      -8: X=0.97745000 Y=0.47902000 Z=0.90625000
      -8: X=0.02255000 Y=0.52098000 Z=0.40625000
      -8: X=0.97745000 Y=0.47902000 Z=0.59375000
      -8: X=0.97745000 Y=0.02098000 Z=0.09375000
      -8: X=0.02255000 Y=0.97902000 Z=0.90625000
      -8: X=0.97745000 Y=0.02098000 Z=0.40625000
      -8: X=0.02255000 Y=0.97902000 Z=0.59375000
O          NPT=  781  R0=.000100000 RMT= 1.88        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=0.02255000 Y=0.52098000 Z=0.03125000
          MULT= 8          ISPLIT= 8
      -9: X=0.97745000 Y=0.47902000 Z=0.96875000
      -9: X=0.02255000 Y=0.52098000 Z=0.46875000
      -9: X=0.97745000 Y=0.47902000 Z=0.53125000
      -9: X=0.97745000 Y=0.02098000 Z=0.03125000
      -9: X=0.02255000 Y=0.97902000 Z=0.96875000
      -9: X=0.97745000 Y=0.02098000 Z=0.46875000
      -9: X=0.02255000 Y=0.97902000 Z=0.53125000
O          NPT=  781  R0=.000100000 RMT= 1.88        Z:   8.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000