P   LATTICE,NONEQUIV.ATOMS   5  198 P213                                       
MODE OF CALC=RELA unit=bohr                                                    
 17.899675 17.899675 17.899675 90.000000 90.000000 90.000000                   
ATOM  -1: X=0.05951000 Y=0.05951000 Z=0.05951000
          MULT= 4          ISPLIT= 4
      -1: X=0.44049000 Y=0.94049000 Z=0.55951000
      -1: X=0.55951000 Y=0.44049000 Z=0.94049000
      -1: X=0.94049000 Y=0.55951000 Z=0.44049000
K          NPT=  781  R0=.000050000 RMT= 2.50000     Z:  19.00000              
LOCAL ROT MATRIX:    0.7071068 0.4082483 0.5773503
                    -0.7071068 0.4082483 0.5773503
                     0.0000000-0.8164966 0.5773503
ATOM  -2: X=0.56432000 Y=0.56432000 Z=0.56432000
          MULT= 4          ISPLIT= 4
      -2: X=0.93568000 Y=0.43568000 Z=0.06432000
      -2: X=0.06432000 Y=0.93568000 Z=0.43568000
      -2: X=0.43568000 Y=0.06432000 Z=0.93568000
K          NPT=  781  R0=.000050000 RMT= 2.50000     Z:  19.00000              
LOCAL ROT MATRIX:    0.7071068 0.4082483 0.5773503
                    -0.7071068 0.4082483 0.5773503
                     0.0000000-0.8164966 0.5773503
ATOM  -3: X=0.82207000 Y=0.82207000 Z=0.82207000
          MULT= 4          ISPLIT= 4
      -3: X=0.67793000 Y=0.17793000 Z=0.32207000
      -3: X=0.32207000 Y=0.67793000 Z=0.17793000
      -3: X=0.17793000 Y=0.32207000 Z=0.67793000
K          NPT=  781  R0=.000050000 RMT= 2.50000     Z:  19.00000              
LOCAL ROT MATRIX:    0.7071068 0.4082483 0.5773503
                    -0.7071068 0.4082483 0.5773503
                     0.0000000-0.8164966 0.5773503
ATOM  -4: X=0.27877000 Y=0.27877000 Z=0.27877000
          MULT= 4          ISPLIT= 4
      -4: X=0.22123000 Y=0.72123000 Z=0.77877000
      -4: X=0.77877000 Y=0.22123000 Z=0.72123000
      -4: X=0.72123000 Y=0.77877000 Z=0.22123000
Sb         NPT=  781  R0=.000010000 RMT= 2.50        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=0.03425000 Y=0.25413000 Z=0.34830000
          MULT=12          ISPLIT= 8
      -5: X=0.46575000 Y=0.74587000 Z=0.84830000
      -5: X=0.53425000 Y=0.24587000 Z=0.65170000
      -5: X=0.34830000 Y=0.03425000 Z=0.25413000
      -5: X=0.96575000 Y=0.75413000 Z=0.15170000
      -5: X=0.15170000 Y=0.96575000 Z=0.75413000
      -5: X=0.84830000 Y=0.46575000 Z=0.74587000
      -5: X=0.65170000 Y=0.53425000 Z=0.24587000
      -5: X=0.25413000 Y=0.34830000 Z=0.03425000
      -5: X=0.24587000 Y=0.65170000 Z=0.53425000
      -5: X=0.75413000 Y=0.15170000 Z=0.96575000
      -5: X=0.74587000 Y=0.84830000 Z=0.46575000
S          NPT=  781  R0=.000100000 RMT= 2.04        Z:  16.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000