P   LATTICE,NONEQUIV.ATOMS   5  198 P213                                       
MODE OF CALC=RELA unit=bohr                                                    
 19.184500 19.184500 19.184500 90.000000 90.000000 90.000000                   
ATOM  -1: X=0.03830000 Y=0.25500000 Z=0.35000000
          MULT=12          ISPLIT= 8
      -1: X=0.46170000 Y=0.74500000 Z=0.85000000
      -1: X=0.53830000 Y=0.24500000 Z=0.65000000
      -1: X=0.35000000 Y=0.03830000 Z=0.25500000
      -1: X=0.96170000 Y=0.75500000 Z=0.15000000
      -1: X=0.15000000 Y=0.96170000 Z=0.75500000
      -1: X=0.85000000 Y=0.46170000 Z=0.74500000
      -1: X=0.65000000 Y=0.53830000 Z=0.24500000
      -1: X=0.25500000 Y=0.35000000 Z=0.03830000
      -1: X=0.24500000 Y=0.65000000 Z=0.53830000
      -1: X=0.75500000 Y=0.15000000 Z=0.96170000
      -1: X=0.74500000 Y=0.85000000 Z=0.46170000
Se         NPT=  781  R0=.000050000 RMT= 2.34        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  -2: X=0.56630000 Y=0.56630000 Z=0.56630000
          MULT= 4          ISPLIT= 4
      -2: X=0.93370000 Y=0.43370000 Z=0.06630000
      -2: X=0.06630000 Y=0.93370000 Z=0.43370000
      -2: X=0.43370000 Y=0.06630000 Z=0.93370000
Rb         NPT=  781  R0=.000010000 RMT= 2.50000     Z:  37.00000              
LOCAL ROT MATRIX:    0.7071068 0.4082483 0.5773503
                    -0.7071068 0.4082483 0.5773503
                     0.0000000-0.8164966 0.5773503
ATOM  -3: X=0.82400000 Y=0.82400000 Z=0.82400000
          MULT= 4          ISPLIT= 4
      -3: X=0.67600000 Y=0.17600000 Z=0.32400000
      -3: X=0.32400000 Y=0.67600000 Z=0.17600000
      -3: X=0.17600000 Y=0.32400000 Z=0.67600000
Rb         NPT=  781  R0=.000010000 RMT= 2.50000     Z:  37.00000              
LOCAL ROT MATRIX:    0.7071068 0.4082483 0.5773503
                    -0.7071068 0.4082483 0.5773503
                     0.0000000-0.8164966 0.5773503
ATOM  -4: X=0.06170000 Y=0.06170000 Z=0.06170000
          MULT= 4          ISPLIT= 4
      -4: X=0.43830000 Y=0.93830000 Z=0.56170000
      -4: X=0.56170000 Y=0.43830000 Z=0.93830000
      -4: X=0.93830000 Y=0.56170000 Z=0.43830000
Rb         NPT=  781  R0=.000010000 RMT= 2.50000     Z:  37.00000              
LOCAL ROT MATRIX:    0.7071068 0.4082483 0.5773503
                    -0.7071068 0.4082483 0.5773503
                     0.0000000-0.8164966 0.5773503
ATOM  -5: X=0.27799000 Y=0.27799000 Z=0.27799000
          MULT= 4          ISPLIT= 4
      -5: X=0.22201000 Y=0.72201000 Z=0.77799000
      -5: X=0.77799000 Y=0.22201000 Z=0.72201000
      -5: X=0.72201000 Y=0.77799000 Z=0.22201000
Sb         NPT=  781  R0=.000010000 RMT= 2.46        Z:  51.00000              
LOCAL ROT MATRIX:    0.7071068 0.4082483 0.5773503
                    -0.7071068 0.4082483 0.5773503
                     0.0000000-0.8164966 0.5773503