R   LATTICE,NONEQUIV.ATOMS   6  148 R-3                                        
MODE OF CALC=RELA unit=bohr                                                    
 22.141923 22.141923 20.807773 90.000000 90.000000120.000000                   
ATOM  -1: X=0.37700000 Y=0.37700000 Z=0.37700000
          MULT= 2          ISPLIT= 4
      -1: X=0.62300000 Y=0.62300000 Z=0.62300000
Pd         NPT=  781  R0=.000010000 RMT= 2.44        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=0.33900000 Y=0.22400000 Z=0.00100000
          MULT= 6          ISPLIT= 8
      -2: X=0.66100000 Y=0.77600000 Z=0.99900000
      -2: X=0.22400000 Y=0.00100000 Z=0.33900000
      -2: X=0.77600000 Y=0.99900000 Z=0.66100000
      -2: X=0.00100000 Y=0.33900000 Z=0.22400000
      -2: X=0.99900000 Y=0.66100000 Z=0.77600000
Pd         NPT=  781  R0=.000010000 RMT= 2.44        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=0.31200000 Y=0.85600000 Z=0.01200000
          MULT= 6          ISPLIT= 8
      -3: X=0.68800000 Y=0.14400000 Z=0.98800000
      -3: X=0.85600000 Y=0.01200000 Z=0.31200000
      -3: X=0.14400000 Y=0.98800000 Z=0.68800000
      -3: X=0.01200000 Y=0.31200000 Z=0.85600000
      -3: X=0.98800000 Y=0.68800000 Z=0.14400000
Pd         NPT=  781  R0=.000010000 RMT= 2.44        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=0.33900000 Y=0.52301000 Z=0.79400000
          MULT= 6          ISPLIT= 8
      -4: X=0.66100000 Y=0.47699000 Z=0.20600000
      -4: X=0.52301000 Y=0.79400000 Z=0.33900000
      -4: X=0.47699000 Y=0.20600000 Z=0.66100000
      -4: X=0.79400000 Y=0.33900000 Z=0.52301000
      -4: X=0.20600000 Y=0.66100000 Z=0.47699000
Pd         NPT=  781  R0=.000010000 RMT= 2.44        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= 4
Sb         NPT=  781  R0=.000010000 RMT= 2.44        Z:  51.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -6: X=0.54600000 Y=0.12300000 Z=0.27600000
          MULT= 6          ISPLIT= 8
      -6: X=0.45400000 Y=0.87700000 Z=0.72400000
      -6: X=0.12300000 Y=0.27600000 Z=0.54600000
      -6: X=0.87700000 Y=0.72400000 Z=0.45400000
      -6: X=0.27600000 Y=0.54600000 Z=0.12300000
      -6: X=0.72400000 Y=0.45400000 Z=0.87700000
Sb         NPT=  781  R0=.000010000 RMT= 2.44        Z:  51.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000