H   LATTICE,NONEQUIV.ATOMS   5  173 P63                                        
MODE OF CALC=RELA unit=bohr                                                    
 17.013204 17.013204  9.903299 90.000000 90.000000120.000000                   
ATOM  -1: X=0.33333333 Y=0.66666667 Z=0.41550000
          MULT= 2          ISPLIT= 4
      -1: X=0.66666666 Y=0.33333333 Z=0.91550000
Al         NPT=  781  R0=.000100000 RMT= 1.78        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  -2: X=0.33605000 Y=0.02320000 Z=0.27570000
          MULT= 6          ISPLIT= 8
      -2: X=0.31285000 Y=0.33605000 Z=0.77570000
      -2: X=0.97680000 Y=0.31285000 Z=0.27570000
      -2: X=0.66395000 Y=0.97680000 Z=0.77570000
      -2: X=0.68715000 Y=0.66395000 Z=0.27570000
      -2: X=0.02320000 Y=0.68715000 Z=0.77570000
I          NPT=  781  R0=.000010000 RMT= 1.80        Z:  53.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -3: X=0.21760000 Y=0.04550000 Z=0.02040000
          MULT= 6          ISPLIT= 8
      -3: X=0.17210000 Y=0.21760000 Z=0.52040000
      -3: X=0.95450000 Y=0.17210000 Z=0.02040000
      -3: X=0.78240000 Y=0.95450000 Z=0.52040000
      -3: X=0.82790000 Y=0.78240000 Z=0.02040000
      -3: X=0.04550000 Y=0.82790000 Z=0.52040000
O          NPT=  781  R0=.000100000 RMT= 1.55        Z:   8.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -4: X=0.19340000 Y=0.48270000 Z=0.19420000
          MULT= 6          ISPLIT= 8
      -4: X=0.71070000 Y=0.19340000 Z=0.69420000
      -4: X=0.51730000 Y=0.71070000 Z=0.19420000
      -4: X=0.80660000 Y=0.51730000 Z=0.69420000
      -4: X=0.28930000 Y=0.80660000 Z=0.19420000
      -4: X=0.48270000 Y=0.28930000 Z=0.69420000
O          NPT=  781  R0=.000100000 RMT= 1.55        Z:   8.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -5: X=0.55050000 Y=0.13170000 Z=0.12490000
          MULT= 6          ISPLIT= 8
      -5: X=0.41880000 Y=0.55050000 Z=0.62490000
      -5: X=0.86830000 Y=0.41880000 Z=0.12490000
      -5: X=0.44950000 Y=0.86830000 Z=0.62490000
      -5: X=0.58120000 Y=0.44950000 Z=0.12490000
      -5: X=0.13170000 Y=0.58120000 Z=0.62490000
O          NPT=  781  R0=.000100000 RMT= 1.55        Z:   8.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000