B   LATTICE,NONEQUIV.ATOMS   4   87 I4/m                                       
MODE OF CALC=RELA unit=bohr                                                    
 19.739512 19.739512  7.156015 90.000000 90.000000 90.000000                   
ATOM  -1: X=0.00000000 Y=0.00000000 Z=0.00000000
          MULT= 1          ISPLIT=-2
Nb         NPT=  781  R0=.000010000 RMT= 2.48        Z:  41.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -2: X=0.38055000 Y=0.30972000 Z=0.00000000
          MULT= 4          ISPLIT= 8
      -2: X=0.61945000 Y=0.69028000 Z=0.00000000
      -2: X=0.69028000 Y=0.38055000 Z=0.00000000
      -2: X=0.30972000 Y=0.61945000 Z=0.00000000
Nb         NPT=  781  R0=.000010000 RMT= 2.48        Z:  41.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -3: X=0.11028000 Y=0.40547000 Z=0.00000000
          MULT= 4          ISPLIT= 8
      -3: X=0.88972000 Y=0.59453000 Z=0.00000000
      -3: X=0.59453000 Y=0.11028000 Z=0.00000000
      -3: X=0.40547000 Y=0.88972000 Z=0.00000000
Pd         NPT=  781  R0=.000010000 RMT= 2.35        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  -4: X=0.24482000 Y=0.06659000 Z=0.00000000
          MULT= 4          ISPLIT= 8
      -4: X=0.75518000 Y=0.93341000 Z=0.00000000
      -4: X=0.93341000 Y=0.24482000 Z=0.00000000
      -4: X=0.06659000 Y=0.75518000 Z=0.00000000
As         NPT=  781  R0=.000050000 RMT= 2.24        Z:  33.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000