P   LATTICE,NONEQUIV.ATOMS   5  198 P213                                       
MODE OF CALC=RELA unit=bohr                                                    
 18.562402 18.562402 18.562402 90.000000 90.000000 90.000000                   
ATOM  -1: X=0.05865000 Y=0.05865000 Z=0.05865000
          MULT= 4          ISPLIT= 4
      -1: X=0.44135000 Y=0.94135000 Z=0.55865000
      -1: X=0.55865000 Y=0.44135000 Z=0.94135000
      -1: X=0.94135000 Y=0.55865000 Z=0.44135000
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  -2: X=0.56252000 Y=0.56252000 Z=0.56252000
          MULT= 4          ISPLIT= 4
      -2: X=0.93748000 Y=0.43748000 Z=0.06252000
      -2: X=0.06252000 Y=0.93748000 Z=0.43748000
      -2: X=0.43748000 Y=0.06252000 Z=0.93748000
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=0.82088000 Y=0.82088000 Z=0.82088000
          MULT= 4          ISPLIT= 4
      -3: X=0.67912000 Y=0.17912000 Z=0.32088000
      -3: X=0.32088000 Y=0.67912000 Z=0.17912000
      -3: X=0.17912000 Y=0.32088000 Z=0.67912000
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=0.27705000 Y=0.27705000 Z=0.27705000
          MULT= 4          ISPLIT= 4
      -4: X=0.22295000 Y=0.72295000 Z=0.77705000
      -4: X=0.77705000 Y=0.22295000 Z=0.72295000
      -4: X=0.72295000 Y=0.77705000 Z=0.22295000
Sb         NPT=  781  R0=.000010000 RMT= 2.50000     Z:  51.00000              
LOCAL ROT MATRIX:    0.7071068 0.4082483 0.5773503
                    -0.7071068 0.4082483 0.5773503
                     0.0000000-0.8164966 0.5773503
ATOM  -5: X=0.04120000 Y=0.25570000 Z=0.34500000
          MULT=12          ISPLIT= 8
      -5: X=0.45880000 Y=0.74430000 Z=0.84500000
      -5: X=0.54120000 Y=0.24430000 Z=0.65500000
      -5: X=0.34500000 Y=0.04120000 Z=0.25570000
      -5: X=0.95880000 Y=0.75570000 Z=0.15500000
      -5: X=0.15500000 Y=0.95880000 Z=0.75570000
      -5: X=0.84500000 Y=0.45880000 Z=0.74430000
      -5: X=0.65500000 Y=0.54120000 Z=0.24430000
      -5: X=0.25570000 Y=0.34500000 Z=0.04120000
      -5: X=0.24430000 Y=0.65500000 Z=0.54120000
      -5: X=0.75570000 Y=0.15500000 Z=0.95880000
      -5: X=0.74430000 Y=0.84500000 Z=0.45880000
S          NPT=  781  R0=.000100000 RMT= 2.05        Z:  16.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000