B   LATTICE,NONEQUIV.ATOMS   3   88 I41/a                                      
MODE OF CALC=RELA unit=bohr                                                    
 10.272551 10.272551 22.595455 90.000000 90.000000 90.000000                   
ATOM  -1: X=0.00000000 Y=0.25000000 Z=0.62500000
          MULT= 2          ISPLIT=-2
      -1: X=0.00000000 Y=0.75000000 Z=0.37500000
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=0.00000000 Y=0.25000000 Z=0.12500000
          MULT= 2          ISPLIT=-2
      -2: X=0.00000000 Y=0.75000000 Z=0.87500000
W          NPT=  781  R0=.000005000 RMT= 1.81        Z:  74.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -3: X=0.14270000 Y=0.00180000 Z=0.19900000
          MULT= 8          ISPLIT= 8
      -3: X=0.85730000 Y=0.99820000 Z=0.80100000
      -3: X=0.24820000 Y=0.89270000 Z=0.94900000
      -3: X=0.25180000 Y=0.60730000 Z=0.55100000
      -3: X=0.85730000 Y=0.49820000 Z=0.19900000
      -3: X=0.14270000 Y=0.50180000 Z=0.80100000
      -3: X=0.25180000 Y=0.10730000 Z=0.44900000
      -3: X=0.24820000 Y=0.39270000 Z=0.05100000
O          NPT=  781  R0=.000100000 RMT= 1.56        Z:   8.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000