B   LATTICE,NONEQUIV.ATOMS   3  206 Ia-3                                       
MODE OF CALC=RELA unit=bohr                                                    
 21.580672 21.580672 21.580672 90.000000 90.000000 90.000000                   
ATOM  -1: X=0.00000000 Y=0.00000000 Z=0.00000000
          MULT= 4          ISPLIT= 4
      -1: X=0.00000000 Y=0.50000000 Z=0.00000000
      -1: X=0.00000000 Y=0.00000000 Z=0.50000000
      -1: X=0.00000000 Y=0.50000000 Z=0.50000000
P          NPT=  781  R0=.000100000 RMT= 1.93        Z:  15.00000              
LOCAL ROT MATRIX:    0.7071068 0.4082483 0.5773503
                    -0.7071068 0.4082483 0.5773503
                     0.0000000-0.8164966 0.5773503
ATOM  -2: X=0.27500000 Y=0.00000000 Z=0.25000000
          MULT=12          ISPLIT= 8
      -2: X=0.72500000 Y=0.00000000 Z=0.75000000
      -2: X=0.72500000 Y=0.50000000 Z=0.25000000
      -2: X=0.27500000 Y=0.50000000 Z=0.75000000
      -2: X=0.25000000 Y=0.27500000 Z=0.00000000
      -2: X=0.75000000 Y=0.72500000 Z=0.00000000
      -2: X=0.75000000 Y=0.22500000 Z=0.00000000
      -2: X=0.25000000 Y=0.77500000 Z=0.00000000
      -2: X=0.00000000 Y=0.25000000 Z=0.27500000
      -2: X=0.00000000 Y=0.75000000 Z=0.72500000
      -2: X=0.00000000 Y=0.75000000 Z=0.22500000
      -2: X=0.00000000 Y=0.25000000 Z=0.77500000
P          NPT=  781  R0=.000100000 RMT= 1.93        Z:  15.00000              
LOCAL ROT MATRIX:    0.0000000 0.0000000 1.0000000
                     1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
ATOM  -3: X=0.10500000 Y=0.35150000 Z=0.13000000
          MULT=24          ISPLIT= 8
      -3: X=0.89500000 Y=0.64850000 Z=0.87000000
      -3: X=0.89500000 Y=0.14850000 Z=0.13000000
      -3: X=0.10500000 Y=0.85150000 Z=0.87000000
      -3: X=0.10500000 Y=0.64850000 Z=0.37000000
      -3: X=0.89500000 Y=0.35150000 Z=0.63000000
      -3: X=0.13000000 Y=0.10500000 Z=0.35150000
      -3: X=0.87000000 Y=0.89500000 Z=0.64850000
      -3: X=0.89500000 Y=0.85150000 Z=0.37000000
      -3: X=0.10500000 Y=0.14850000 Z=0.63000000
      -3: X=0.87000000 Y=0.39500000 Z=0.35150000
      -3: X=0.13000000 Y=0.60500000 Z=0.64850000
      -3: X=0.13000000 Y=0.89500000 Z=0.14850000
      -3: X=0.87000000 Y=0.10500000 Z=0.85150000
      -3: X=0.87000000 Y=0.60500000 Z=0.14850000
      -3: X=0.13000000 Y=0.39500000 Z=0.85150000
      -3: X=0.35150000 Y=0.13000000 Z=0.10500000
      -3: X=0.64850000 Y=0.87000000 Z=0.89500000
      -3: X=0.64850000 Y=0.37000000 Z=0.10500000
      -3: X=0.35150000 Y=0.63000000 Z=0.89500000
      -3: X=0.35150000 Y=0.87000000 Z=0.39500000
      -3: X=0.64850000 Y=0.13000000 Z=0.60500000
      -3: X=0.64850000 Y=0.63000000 Z=0.39500000
      -3: X=0.35150000 Y=0.37000000 Z=0.60500000
Zn         NPT=  781  R0=.000050000 RMT= 2.48        Z:  30.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000