B   LATTICE,NONEQUIV.ATOMS   7   87 I4/m                                       
MODE OF CALC=RELA unit=bohr                                                    
 27.042737 27.042737  7.491063 90.000000 90.000000 90.000000                   
ATOM  -1: X=0.24832000 Y=0.31538000 Z=0.00000000
          MULT= 4          ISPLIT= 8
      -1: X=0.75168000 Y=0.68462000 Z=0.00000000
      -1: X=0.68462000 Y=0.24832000 Z=0.00000000
      -1: X=0.31538000 Y=0.75168000 Z=0.00000000
Pd         NPT=  781  R0=.000010000 RMT= 2.34        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  -2: X=0.27217000 Y=0.04518000 Z=0.00000000
          MULT= 4          ISPLIT= 8
      -2: X=0.72783000 Y=0.95482000 Z=0.00000000
      -2: X=0.95482000 Y=0.27217000 Z=0.00000000
      -2: X=0.04518000 Y=0.72783000 Z=0.00000000
Pd         NPT=  781  R0=.000010000 RMT= 2.34        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=0.40851000 Y=0.19814000 Z=0.00000000
          MULT= 4          ISPLIT= 8
      -3: X=0.59149000 Y=0.80186000 Z=0.00000000
      -3: X=0.80186000 Y=0.40851000 Z=0.00000000
      -3: X=0.19814000 Y=0.59149000 Z=0.00000000
Pd         NPT=  781  R0=.000010000 RMT= 2.34        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=0.36329000 Y=0.47874000 Z=0.00000000
          MULT= 4          ISPLIT= 8
      -4: X=0.63671000 Y=0.52126000 Z=0.00000000
      -4: X=0.52126000 Y=0.36329000 Z=0.00000000
      -4: X=0.47874000 Y=0.63671000 Z=0.00000000
Pd         NPT=  781  R0=.000010000 RMT= 2.34        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  -5: X=0.00000000 Y=0.00000000 Z=0.00000000
          MULT= 1          ISPLIT=-2
Pd         NPT=  781  R0=.000010000 RMT= 2.34        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  -6: X=0.11555000 Y=0.16159000 Z=0.00000000
          MULT= 4          ISPLIT= 8
      -6: X=0.88445000 Y=0.83841000 Z=0.00000000
      -6: X=0.83841000 Y=0.11555000 Z=0.00000000
      -6: X=0.16159000 Y=0.88445000 Z=0.00000000
In         NPT=  781  R0=.000010000 RMT= 2.50000     Z:  49.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -7: X=0.12219000 Y=0.42865000 Z=0.00000000
          MULT= 4          ISPLIT= 8
      -7: X=0.87781000 Y=0.57135000 Z=0.00000000
      -7: X=0.57135000 Y=0.12219000 Z=0.00000000
      -7: X=0.42865000 Y=0.87781000 Z=0.00000000
Se         NPT=  781  R0=.000050000 RMT= 2.22        Z:  34.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000