B   LATTICE,NONEQUIV.ATOMS   3   88 I41/a                                      
MODE OF CALC=RELA unit=bohr                                                    
 10.842871 10.842871 18.870616 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
Y          NPT=  781  R0=.000010000 RMT= 2.23        Z:  39.00000              
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=0.00000000 Z=0.00000000
          MULT= 4          ISPLIT= 8
      -2: X=0.25000000 Y=0.75000000 Z=0.75000000
      -2: X=0.00000000 Y=0.50000000 Z=0.00000000
      -2: X=0.25000000 Y=0.25000000 Z=0.25000000
Pd         NPT=  781  R0=.000010000 RMT= 1.98        Z:  46.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -3: X=0.31100000 Y=0.08000000 Z=0.06640000
          MULT= 8          ISPLIT= 8
      -3: X=0.68900000 Y=0.92000000 Z=0.93360000
      -3: X=0.17000000 Y=0.06100000 Z=0.81640000
      -3: X=0.33000000 Y=0.43900000 Z=0.68360000
      -3: X=0.68900000 Y=0.42000000 Z=0.06640000
      -3: X=0.31100000 Y=0.58000000 Z=0.93360000
      -3: X=0.33000000 Y=0.93900000 Z=0.31640000
      -3: X=0.17000000 Y=0.56100000 Z=0.18360000
O          NPT=  781  R0=.000100000 RMT= 1.70        Z:   8.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000