P   LATTICE,NONEQUIV.ATOMS   6  111 P-42m                                      
MODE OF CALC=RELA unit=bohr                                                    
  9.750987  9.750987 19.029542 90.000000 90.000000 90.000000                   
ATOM  -1: X=0.00000000 Y=0.00000000 Z=0.00000000
          MULT= 1          ISPLIT=-2
K          NPT=  781  R0=.000050000 RMT= 2.40        Z:  19.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -2: X=0.00000000 Y=0.00000000 Z=0.50000000
          MULT= 1          ISPLIT=-2
K          NPT=  781  R0=.000050000 RMT= 2.40        Z:  19.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -3: X=0.50000000 Y=0.50000000 Z=0.25040000
          MULT= 2          ISPLIT= 8
      -3: X=0.50000000 Y=0.50000000 Z=0.74960000
Sb         NPT=  781  R0=.000010000 RMT= 1.82        Z:  51.00000              
LOCAL ROT MATRIX:    0.7071068 0.7071068 0.0000000
                    -0.7071068 0.7071068 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -4: X=0.31240000 Y=0.31240000 Z=0.12800000
          MULT= 4          ISPLIT= 8
      -4: X=0.31240000 Y=0.68760000 Z=0.87200000
      -4: X=0.68760000 Y=0.68760000 Z=0.12800000
      -4: X=0.68760000 Y=0.31240000 Z=0.87200000
F          NPT=  781  R0=.000100000 RMT= 1.64        Z:   9.00000              
LOCAL ROT MATRIX:    0.0000000-0.7071068-0.7071068
                     0.0000000-0.7071068 0.7071068
                    -1.0000000 0.0000000 0.0000000
ATOM  -5: X=0.32550000 Y=0.32550000 Z=0.38250000
          MULT= 4          ISPLIT= 8
      -5: X=0.32550000 Y=0.67450000 Z=0.61750000
      -5: X=0.67450000 Y=0.67450000 Z=0.38250000
      -5: X=0.67450000 Y=0.32550000 Z=0.61750000
F          NPT=  781  R0=.000100000 RMT= 1.64        Z:   9.00000              
LOCAL ROT MATRIX:    0.0000000-0.7071068-0.7071068
                     0.0000000-0.7071068 0.7071068
                    -1.0000000 0.0000000 0.0000000
ATOM  -6: X=0.24710000 Y=0.24710000 Z=0.73700000
          MULT= 4          ISPLIT= 8
      -6: X=0.24710000 Y=0.75290000 Z=0.26300000
      -6: X=0.75290000 Y=0.75290000 Z=0.73700000
      -6: X=0.75290000 Y=0.24710000 Z=0.26300000
F          NPT=  781  R0=.000100000 RMT= 1.64        Z:   9.00000              
LOCAL ROT MATRIX:    0.0000000-0.7071068-0.7071068
                     0.0000000-0.7071068 0.7071068
                    -1.0000000 0.0000000 0.0000000