B   LATTICE,NONEQUIV.ATOMS   4   87 I4/m                                       
MODE OF CALC=RELA unit=bohr                                                    
 19.475329 19.475329  6.873312 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= 2.50000     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=0.37722000 Y=0.31039000 Z=0.00000000
          MULT= 4          ISPLIT= 8
      -2: X=0.62278000 Y=0.68961000 Z=0.00000000
      -2: X=0.68961000 Y=0.37722000 Z=0.00000000
      -2: X=0.31039000 Y=0.62278000 Z=0.00000000
Nb         NPT=  781  R0=.000010000 RMT= 2.50000     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=0.11385000 Y=0.40535000 Z=0.00000000
          MULT= 4          ISPLIT= 8
      -3: X=0.88615000 Y=0.59465000 Z=0.00000000
      -3: X=0.59465000 Y=0.11385000 Z=0.00000000
      -3: X=0.40535000 Y=0.88615000 Z=0.00000000
Pd         NPT=  781  R0=.000010000 RMT= 2.50        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=0.24340000 Y=0.06080000 Z=0.00000000
          MULT= 4          ISPLIT= 8
      -4: X=0.75660000 Y=0.93920000 Z=0.00000000
      -4: X=0.93920000 Y=0.24340000 Z=0.00000000
      -4: X=0.06080000 Y=0.75660000 Z=0.00000000
P          NPT=  781  R0=.000100000 RMT= 1.94        Z:  15.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000