P   LATTICE,NONEQUIV.ATOMS   7  117 P-4b2                                      
MODE OF CALC=RELA unit=bohr                                                    
 23.951901 23.951901 13.090700 90.000000 90.000000 90.000000                   
ATOM  -1: X=0.00000000 Y=0.50000000 Z=0.00000000
          MULT= 2          ISPLIT= 8
      -1: X=0.50000000 Y=0.00000000 Z=0.00000000
Rb         NPT=  781  R0=.000010000 RMT= 2.50000     Z:  37.00000              
LOCAL ROT MATRIX:    0.7071068 0.7071068 0.0000000
                    -0.7071068 0.7071068 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -2: X=0.00000000 Y=0.00000000 Z=0.50000000
          MULT= 2          ISPLIT=-2
      -2: X=0.50000000 Y=0.50000000 Z=0.50000000
Rb         NPT=  781  R0=.000010000 RMT= 2.50000     Z:  37.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -3: X=0.00000000 Y=0.00000000 Z=0.00000000
          MULT= 2          ISPLIT=-2
      -3: X=0.50000000 Y=0.50000000 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=0.03560000 Y=0.18785000 Z=0.03265000
          MULT= 8          ISPLIT= 8
      -4: X=0.18785000 Y=0.96440000 Z=0.96735000
      -4: X=0.46440000 Y=0.68785000 Z=0.03265000
      -4: X=0.96440000 Y=0.81215000 Z=0.03265000
      -4: X=0.68785000 Y=0.53560000 Z=0.96735000
      -4: X=0.81215000 Y=0.03560000 Z=0.96735000
      -4: X=0.53560000 Y=0.31215000 Z=0.03265000
      -4: X=0.31215000 Y=0.46440000 Z=0.96735000
Se         NPT=  781  R0=.000050000 RMT= 2.21        Z:  34.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -5: X=0.21289000 Y=0.20249000 Z=0.13017000
          MULT= 8          ISPLIT= 8
      -5: X=0.20249000 Y=0.78711000 Z=0.86983000
      -5: X=0.28711000 Y=0.70249000 Z=0.13017000
      -5: X=0.78711000 Y=0.79751000 Z=0.13017000
      -5: X=0.70249000 Y=0.71289000 Z=0.86983000
      -5: X=0.79751000 Y=0.21289000 Z=0.86983000
      -5: X=0.71289000 Y=0.29751000 Z=0.13017000
      -5: X=0.29751000 Y=0.28711000 Z=0.86983000
Se         NPT=  781  R0=.000050000 RMT= 2.21        Z:  34.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -6: X=0.19191000 Y=0.41959000 Z=0.40894000
          MULT= 8          ISPLIT= 8
      -6: X=0.41959000 Y=0.80809000 Z=0.59106000
      -6: X=0.30809000 Y=0.91959000 Z=0.40894000
      -6: X=0.80809000 Y=0.58041000 Z=0.40894000
      -6: X=0.91959000 Y=0.69191000 Z=0.59106000
      -6: X=0.58041000 Y=0.19191000 Z=0.59106000
      -6: X=0.69191000 Y=0.08041000 Z=0.40894000
      -6: X=0.08041000 Y=0.30809000 Z=0.59106000
Se         NPT=  781  R0=.000050000 RMT= 2.21        Z:  34.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -7: X=0.42225000 Y=0.19039000 Z=0.40923000
          MULT= 8          ISPLIT= 8
      -7: X=0.19039000 Y=0.57775000 Z=0.59077000
      -7: X=0.07775000 Y=0.69039000 Z=0.40923000
      -7: X=0.57775000 Y=0.80961000 Z=0.40923000
      -7: X=0.69039000 Y=0.92225000 Z=0.59077000
      -7: X=0.80961000 Y=0.42225000 Z=0.59077000
      -7: X=0.92225000 Y=0.30961000 Z=0.40923000
      -7: X=0.30961000 Y=0.07775000 Z=0.59077000
Se         NPT=  781  R0=.000050000 RMT= 2.21        Z:  34.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000