B   LATTICE,NONEQUIV.ATOMS   4  206 Ia-3                                       
MODE OF CALC=RELA unit=bohr                                                    
 17.914604 17.914604 17.914604 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
N          NPT=  781  R0=.000100000 RMT= 1.73        Z:   7.00000              
LOCAL ROT MATRIX:    0.7071068 0.4082483 0.5773503
                    -0.7071068 0.4082483 0.5773503
                     0.0000000-0.8164966 0.5773503
ATOM  -2: X=0.20500000 Y=0.00000000 Z=0.25000000
          MULT=12          ISPLIT= 8
      -2: X=0.79500000 Y=0.00000000 Z=0.75000000
      -2: X=0.79500000 Y=0.50000000 Z=0.25000000
      -2: X=0.20500000 Y=0.50000000 Z=0.75000000
      -2: X=0.25000000 Y=0.20500000 Z=0.00000000
      -2: X=0.75000000 Y=0.79500000 Z=0.00000000
      -2: X=0.75000000 Y=0.29500000 Z=0.00000000
      -2: X=0.25000000 Y=0.70500000 Z=0.00000000
      -2: X=0.00000000 Y=0.25000000 Z=0.20500000
      -2: X=0.00000000 Y=0.75000000 Z=0.79500000
      -2: X=0.00000000 Y=0.75000000 Z=0.29500000
      -2: X=0.00000000 Y=0.25000000 Z=0.70500000
N          NPT=  781  R0=.000100000 RMT= 1.73        Z:   7.00000              
LOCAL ROT MATRIX:    0.0000000 0.0000000 1.0000000
                     1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
ATOM  -3: X=0.11500000 Y=0.11500000 Z=0.11500000
          MULT= 8          ISPLIT= 4
      -3: X=0.88500000 Y=0.88500000 Z=0.88500000
      -3: X=0.88500000 Y=0.38500000 Z=0.11500000
      -3: X=0.11500000 Y=0.61500000 Z=0.88500000
      -3: X=0.11500000 Y=0.88500000 Z=0.38500000
      -3: X=0.88500000 Y=0.11500000 Z=0.61500000
      -3: X=0.88500000 Y=0.61500000 Z=0.38500000
      -3: X=0.11500000 Y=0.38500000 Z=0.61500000
Al         NPT=  781  R0=.000100000 RMT= 1.81        Z:  13.00000              
LOCAL ROT MATRIX:    0.7071068 0.4082483 0.5773503
                    -0.7071068 0.4082483 0.5773503
                     0.0000000-0.8164966 0.5773503
ATOM  -4: X=0.11000000 Y=0.16000000 Z=0.38200000
          MULT=24          ISPLIT= 8
      -4: X=0.89000000 Y=0.84000000 Z=0.61800000
      -4: X=0.89000000 Y=0.34000000 Z=0.38200000
      -4: X=0.11000000 Y=0.66000000 Z=0.61800000
      -4: X=0.11000000 Y=0.84000000 Z=0.11800000
      -4: X=0.89000000 Y=0.16000000 Z=0.88200000
      -4: X=0.38200000 Y=0.11000000 Z=0.16000000
      -4: X=0.61800000 Y=0.89000000 Z=0.84000000
      -4: X=0.89000000 Y=0.66000000 Z=0.11800000
      -4: X=0.11000000 Y=0.34000000 Z=0.88200000
      -4: X=0.61800000 Y=0.39000000 Z=0.16000000
      -4: X=0.38200000 Y=0.61000000 Z=0.84000000
      -4: X=0.38200000 Y=0.89000000 Z=0.34000000
      -4: X=0.61800000 Y=0.11000000 Z=0.66000000
      -4: X=0.61800000 Y=0.61000000 Z=0.34000000
      -4: X=0.38200000 Y=0.39000000 Z=0.66000000
      -4: X=0.16000000 Y=0.38200000 Z=0.11000000
      -4: X=0.84000000 Y=0.61800000 Z=0.89000000
      -4: X=0.84000000 Y=0.11800000 Z=0.11000000
      -4: X=0.16000000 Y=0.88200000 Z=0.89000000
      -4: X=0.16000000 Y=0.61800000 Z=0.39000000
      -4: X=0.84000000 Y=0.38200000 Z=0.61000000
      -4: X=0.84000000 Y=0.88200000 Z=0.39000000
      -4: X=0.16000000 Y=0.11800000 Z=0.61000000
Li         NPT=  781  R0=.000100000 RMT= 1.87        Z:   3.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000