P   LATTICE,NONEQUIV.ATOMS   3  137 P42/nmc                                    
MODE OF CALC=RELA unit=bohr                                                    
 15.409961 15.409961 10.812635 90.000000 90.000000 90.000000                   
ATOM  -1: X=0.25000000 Y=0.02530000 Z=0.06020000
          MULT= 8          ISPLIT= 8
      -1: X=0.75000000 Y=0.97470000 Z=0.93980000
      -1: X=0.47470000 Y=0.25000000 Z=0.56020000
      -1: X=0.52530000 Y=0.75000000 Z=0.43980000
      -1: X=0.25000000 Y=0.47470000 Z=0.06020000
      -1: X=0.75000000 Y=0.52530000 Z=0.93980000
      -1: X=0.02530000 Y=0.25000000 Z=0.56020000
      -1: X=0.97470000 Y=0.75000000 Z=0.43980000
Pb         NPT=  781  R0=.000005000 RMT= 2.21        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  -2: X=0.54300000 Y=0.45700000 Z=0.25000000
          MULT= 8          ISPLIT= 8
      -2: X=0.45700000 Y=0.54300000 Z=0.75000000
      -2: X=0.04300000 Y=0.54300000 Z=0.75000000
      -2: X=0.95700000 Y=0.45700000 Z=0.25000000
      -2: X=0.95700000 Y=0.04300000 Z=0.25000000
      -2: X=0.04300000 Y=0.95700000 Z=0.75000000
      -2: X=0.45700000 Y=0.95700000 Z=0.75000000
      -2: X=0.54300000 Y=0.04300000 Z=0.25000000
F          NPT=  781  R0=.000100000 RMT= 2.18        Z:   9.00000              
LOCAL ROT MATRIX:    0.0000000-0.7071068-0.7071068
                     0.0000000-0.7071068 0.7071068
                    -1.0000000 0.0000000 0.0000000
ATOM  -3: X=0.25000000 Y=0.25000000 Z=0.36700000
          MULT= 4          ISPLIT= 8
      -3: X=0.75000000 Y=0.75000000 Z=0.63300000
      -3: X=0.25000000 Y=0.25000000 Z=0.86700000
      -3: X=0.75000000 Y=0.75000000 Z=0.13300000
O          NPT=  781  R0=.000100000 RMT= 1.81        Z:   8.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000