B   LATTICE,NONEQUIV.ATOMS   4  217 I-43m                                      
MODE OF CALC=RELA unit=bohr                                                    
 23.353236 23.353236 23.353236 90.000000 90.000000 90.000000                   
ATOM  -1: X=0.09490000 Y=0.09490000 Z=0.29254000
          MULT=12          ISPLIT= 8
      -1: X=0.09490000 Y=0.90510000 Z=0.70746000
      -1: X=0.29254000 Y=0.09490000 Z=0.09490000
      -1: X=0.90510000 Y=0.90510000 Z=0.29254000
      -1: X=0.09490000 Y=0.70746000 Z=0.90510000
      -1: X=0.90510000 Y=0.09490000 Z=0.70746000
      -1: X=0.70746000 Y=0.90510000 Z=0.09490000
      -1: X=0.90510000 Y=0.29254000 Z=0.90510000
      -1: X=0.29254000 Y=0.90510000 Z=0.90510000
      -1: X=0.90510000 Y=0.70746000 Z=0.09490000
      -1: X=0.70746000 Y=0.09490000 Z=0.90510000
      -1: X=0.09490000 Y=0.29254000 Z=0.09490000
Pb         NPT=  781  R0=.000005000 RMT= 2.50000     Z:  82.00000              
LOCAL ROT MATRIX:    0.0000000-0.7071068-0.7071068
                     0.0000000-0.7071068 0.7071068
                    -1.0000000 0.0000000 0.0000000
ATOM  -2: X=0.36154000 Y=0.36154000 Z=0.03993000
          MULT=12          ISPLIT= 8
      -2: X=0.36154000 Y=0.63846000 Z=0.96007000
      -2: X=0.03993000 Y=0.36154000 Z=0.36154000
      -2: X=0.63846000 Y=0.63846000 Z=0.03993000
      -2: X=0.36154000 Y=0.96007000 Z=0.63846000
      -2: X=0.63846000 Y=0.36154000 Z=0.96007000
      -2: X=0.96007000 Y=0.63846000 Z=0.36154000
      -2: X=0.63846000 Y=0.03993000 Z=0.63846000
      -2: X=0.03993000 Y=0.63846000 Z=0.63846000
      -2: X=0.63846000 Y=0.96007000 Z=0.36154000
      -2: X=0.96007000 Y=0.36154000 Z=0.63846000
      -2: X=0.36154000 Y=0.03993000 Z=0.36154000
Pb         NPT=  781  R0=.000005000 RMT= 2.50000     Z:  82.00000              
LOCAL ROT MATRIX:    0.0000000-0.7071068-0.7071068
                     0.0000000-0.7071068 0.7071068
                    -1.0000000 0.0000000 0.0000000
ATOM   3: X=0.00000000 Y=0.00000000 Z=0.00000000
          MULT= 1          ISPLIT= 2
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  -4: X=0.31830000 Y=0.31830000 Z=0.31830000
          MULT= 4          ISPLIT= 4
      -4: X=0.31830000 Y=0.68170000 Z=0.68170000
      -4: X=0.68170000 Y=0.68170000 Z=0.31830000
      -4: X=0.68170000 Y=0.31830000 Z=0.68170000
K          NPT=  781  R0=.000050000 RMT= 2.50000     Z:  19.00000              
LOCAL ROT MATRIX:    0.4082483-0.7071068 0.5773503
                     0.4082483 0.7071068 0.5773503
                    -0.8164966 0.0000000 0.5773503