P   LATTICE,NONEQUIV.ATOMS   3  111 P-42m                                      
MODE OF CALC=RELA unit=bohr                                                    
  6.468911  6.468911  6.468911 90.000000 90.000000 90.000000                   
ATOM  -1: X=0.00000000 Y=0.00000000 Z=0.00000000
          MULT= 1          ISPLIT=-2
C          NPT=  781  R0=.000100000 RMT= 1.35        Z:   6.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -2: X=0.50000000 Y=0.00000000 Z=0.50000000
          MULT= 2          ISPLIT= 8
      -2: X=0.00000000 Y=0.50000000 Z=0.50000000
C          NPT=  781  R0=.000100000 RMT= 1.35        Z:   6.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -3: X=0.24540000 Y=0.24540000 Z=0.25470000
          MULT= 4          ISPLIT= 8
      -3: X=0.24540000 Y=0.75460000 Z=0.74530000
      -3: X=0.75460000 Y=0.75460000 Z=0.25470000
      -3: X=0.75460000 Y=0.24540000 Z=0.74530000
N          NPT=  781  R0=.000100000 RMT= 1.42        Z:   7.00000              
LOCAL ROT MATRIX:    0.0000000-0.7071068-0.7071068
                     0.0000000-0.7071068 0.7071068
                    -1.0000000 0.0000000 0.0000000