P   LATTICE,NONEQUIV.ATOMS   3  111 P-42m                                      
MODE OF CALC=RELA unit=bohr                                                    
  8.714472  8.714472  8.718818 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= 1.74        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= 1.74        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=0.27190000 Y=0.27190000 Z=0.22810000
          MULT= 4          ISPLIT= 8
      -3: X=0.27190000 Y=0.72810000 Z=0.77190000
      -3: X=0.72810000 Y=0.72810000 Z=0.22810000
      -3: X=0.72810000 Y=0.27190000 Z=0.77190000
As         NPT=  781  R0=.000050000 RMT= 2.13        Z:  33.00000              
LOCAL ROT MATRIX:    0.0000000-0.7071068-0.7071068
                     0.0000000-0.7071068 0.7071068
                    -1.0000000 0.0000000 0.0000000