P   LATTICE,NONEQUIV.ATOMS   5  198 P213                                       
MODE OF CALC=RELA unit=bohr                                                    
 17.266239 17.266239 17.266239 90.000000 90.000000 90.000000                   
ATOM  -1: X=0.52732000 Y=0.52732000 Z=0.52732000
          MULT= 4          ISPLIT= 4
      -1: X=0.97268000 Y=0.47268000 Z=0.02732000
      -1: X=0.02732000 Y=0.97268000 Z=0.47268000
      -1: X=0.47268000 Y=0.02732000 Z=0.97268000
Cs         NPT=  781  R0=.000010000 RMT= 2.50000     Z:  55.00000              
LOCAL ROT MATRIX:    0.7071068 0.4082483 0.5773503
                    -0.7071068 0.4082483 0.5773503
                     0.0000000-0.8164966 0.5773503
ATOM  -2: X=0.02318000 Y=0.02318000 Z=0.02318000
          MULT= 4          ISPLIT= 4
      -2: X=0.47682000 Y=0.97682000 Z=0.52318000
      -2: X=0.52318000 Y=0.47682000 Z=0.97682000
      -2: X=0.97682000 Y=0.52318000 Z=0.47682000
Cs         NPT=  781  R0=.000010000 RMT= 2.50000     Z:  55.00000              
LOCAL ROT MATRIX:    0.7071068 0.4082483 0.5773503
                    -0.7071068 0.4082483 0.5773503
                     0.0000000-0.8164966 0.5773503
ATOM  -3: X=0.76855000 Y=0.76855000 Z=0.76855000
          MULT= 4          ISPLIT= 4
      -3: X=0.73145000 Y=0.23145000 Z=0.26855000
      -3: X=0.26855000 Y=0.73145000 Z=0.23145000
      -3: X=0.23145000 Y=0.26855000 Z=0.73145000
Cs         NPT=  781  R0=.000010000 RMT= 2.50000     Z:  55.00000              
LOCAL ROT MATRIX:    0.7071068 0.4082483 0.5773503
                    -0.7071068 0.4082483 0.5773503
                     0.0000000-0.8164966 0.5773503
ATOM  -4: X=0.25362000 Y=0.25362000 Z=0.25362000
          MULT= 4          ISPLIT= 4
      -4: X=0.24638000 Y=0.74638000 Z=0.75362000
      -4: X=0.75362000 Y=0.24638000 Z=0.74638000
      -4: X=0.74638000 Y=0.75362000 Z=0.24638000
Sb         NPT=  781  R0=.000010000 RMT= 1.95        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=0.04590000 Y=0.25550000 Z=0.29080000
          MULT=12          ISPLIT= 8
      -5: X=0.45410000 Y=0.74450000 Z=0.79080000
      -5: X=0.54590000 Y=0.24450000 Z=0.70920000
      -5: X=0.29080000 Y=0.04590000 Z=0.25550000
      -5: X=0.95410000 Y=0.75550000 Z=0.20920000
      -5: X=0.20920000 Y=0.95410000 Z=0.75550000
      -5: X=0.79080000 Y=0.45410000 Z=0.74450000
      -5: X=0.70920000 Y=0.54590000 Z=0.24450000
      -5: X=0.25550000 Y=0.29080000 Z=0.04590000
      -5: X=0.24450000 Y=0.70920000 Z=0.54590000
      -5: X=0.75550000 Y=0.20920000 Z=0.95410000
      -5: X=0.74450000 Y=0.79080000 Z=0.45410000
O          NPT=  781  R0=.000100000 RMT= 1.68        Z:   8.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000