B   LATTICE,NONEQUIV.ATOMS   6  141 I41/amd                                    
MODE OF CALC=RELA unit=bohr                                                    
 13.280995 13.280995 56.334626 90.000000 90.000000 90.000000                   
ATOM  -1: X=0.00000000 Y=0.00000000 Z=0.00000000
          MULT= 4          ISPLIT= 8
      -1: X=0.25000000 Y=0.75000000 Z=0.25000000
      -1: X=0.00000000 Y=0.50000000 Z=0.00000000
      -1: X=0.25000000 Y=0.25000000 Z=0.75000000
Al         NPT=  781  R0=.000100000 RMT= 2.16        Z:  13.00000              
LOCAL ROT MATRIX:    0.0000000 0.0000000 1.0000000
                     1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
ATOM  -2: X=0.00000000 Y=0.51800000 Z=0.33200000
          MULT= 8          ISPLIT= 8
      -2: X=0.00000000 Y=0.48200000 Z=0.66800000
      -2: X=0.73200000 Y=0.75000000 Z=0.58200000
      -2: X=0.76800000 Y=0.75000000 Z=0.91800000
      -2: X=0.00000000 Y=0.98200000 Z=0.33200000
      -2: X=0.00000000 Y=0.01800000 Z=0.66800000
      -2: X=0.76800000 Y=0.25000000 Z=0.08200000
      -2: X=0.73200000 Y=0.25000000 Z=0.41800000
Al         NPT=  781  R0=.000100000 RMT= 2.16        Z:  13.00000              
LOCAL ROT MATRIX:    0.0000000 0.0000000 1.0000000
                     1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
ATOM  -3: X=0.00000000 Y=0.25000000 Z=0.20500000
          MULT= 4          ISPLIT= 8
      -3: X=0.00000000 Y=0.75000000 Z=0.79500000
      -3: X=0.00000000 Y=0.75000000 Z=0.45500000
      -3: X=0.50000000 Y=0.75000000 Z=0.04500000
Al         NPT=  781  R0=.000100000 RMT= 2.16        Z:  13.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -4: X=0.00000000 Y=0.50300000 Z=0.25100000
          MULT= 8          ISPLIT= 8
      -4: X=0.00000000 Y=0.49700000 Z=0.74900000
      -4: X=0.74700000 Y=0.75000000 Z=0.50100000
      -4: X=0.75300000 Y=0.75000000 Z=0.99900000
      -4: X=0.00000000 Y=0.99700000 Z=0.25100000
      -4: X=0.00000000 Y=0.00300000 Z=0.74900000
      -4: X=0.75300000 Y=0.25000000 Z=0.00100000
      -4: X=0.74700000 Y=0.25000000 Z=0.49900000
S          NPT=  781  R0=.000100000 RMT= 2.06        Z:  16.00000              
LOCAL ROT MATRIX:    0.0000000 0.0000000 1.0000000
                     1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
ATOM  -5: X=0.00000000 Y=0.00900000 Z=0.07800000
          MULT= 8          ISPLIT= 8
      -5: X=0.00000000 Y=0.99100000 Z=0.92200000
      -5: X=0.24100000 Y=0.75000000 Z=0.32800000
      -5: X=0.25900000 Y=0.75000000 Z=0.17200000
      -5: X=0.00000000 Y=0.49100000 Z=0.07800000
      -5: X=0.00000000 Y=0.50900000 Z=0.92200000
      -5: X=0.25900000 Y=0.25000000 Z=0.82800000
      -5: X=0.24100000 Y=0.25000000 Z=0.67200000
S          NPT=  781  R0=.000100000 RMT= 2.06        Z:  16.00000              
LOCAL ROT MATRIX:    0.0000000 0.0000000 1.0000000
                     1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
ATOM  -6: X=0.00000000 Y=0.02400000 Z=0.41300000
          MULT= 8          ISPLIT= 8
      -6: X=0.00000000 Y=0.97600000 Z=0.58700000
      -6: X=0.22600000 Y=0.75000000 Z=0.66300000
      -6: X=0.27400000 Y=0.75000000 Z=0.83700000
      -6: X=0.00000000 Y=0.47600000 Z=0.41300000
      -6: X=0.00000000 Y=0.52400000 Z=0.58700000
      -6: X=0.27400000 Y=0.25000000 Z=0.16300000
      -6: X=0.22600000 Y=0.25000000 Z=0.33700000
S          NPT=  781  R0=.000100000 RMT= 2.06        Z:  16.00000              
LOCAL ROT MATRIX:    0.0000000 0.0000000 1.0000000
                     1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000