H   LATTICE,NONEQUIV.ATOMS   5  169 P61                                        
MODE OF CALC=RELA unit=bohr                                                    
 12.606741 12.606741 33.703266 90.000000 90.000000120.000000                   
ATOM  -1: X=0.00500000 Y=0.33130000 Z=0.37500000
          MULT= 6          ISPLIT= 8
      -1: X=0.67370000 Y=0.00500000 Z=0.54166667
      -1: X=0.66870000 Y=0.67370000 Z=0.70833333
      -1: X=0.99500000 Y=0.66870000 Z=0.87500000
      -1: X=0.32630000 Y=0.99500000 Z=0.04166667
      -1: X=0.33130000 Y=0.32630000 Z=0.20833333
In         NPT=  781  R0=.000010000 RMT= 2.50000     Z:  49.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -2: X=0.01100000 Y=0.33090000 Z=0.01377000
          MULT= 6          ISPLIT= 8
      -2: X=0.68010000 Y=0.01100000 Z=0.18043667
      -2: X=0.66910000 Y=0.68010000 Z=0.34710333
      -2: X=0.98900000 Y=0.66910000 Z=0.51377000
      -2: X=0.31990000 Y=0.98900000 Z=0.68043667
      -2: X=0.33090000 Y=0.31990000 Z=0.84710333
Al         NPT=  781  R0=.000100000 RMT= 2.14        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  -3: X=0.30010000 Y=0.00560000 Z=0.55147000
          MULT= 6          ISPLIT= 8
      -3: X=0.29450000 Y=0.30010000 Z=0.71813667
      -3: X=0.99440000 Y=0.29450000 Z=0.88480333
      -3: X=0.69990000 Y=0.99440000 Z=0.05147000
      -3: X=0.70550000 Y=0.69990000 Z=0.21813667
      -3: X=0.00560000 Y=0.70550000 Z=0.38480333
S          NPT=  781  R0=.000100000 RMT= 2.04        Z:  16.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -4: X=0.33920000 Y=0.36770000 Z=0.05887000
          MULT= 6          ISPLIT= 8
      -4: X=0.97150000 Y=0.33920000 Z=0.22553667
      -4: X=0.63230000 Y=0.97150000 Z=0.39220333
      -4: X=0.66080000 Y=0.63230000 Z=0.55887000
      -4: X=0.02850000 Y=0.66080000 Z=0.72553667
      -4: X=0.36770000 Y=0.02850000 Z=0.89220333
S          NPT=  781  R0=.000100000 RMT= 2.04        Z:  16.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -5: X=0.36440000 Y=0.32210000 Z=0.35820000
          MULT= 6          ISPLIT= 8
      -5: X=0.04230000 Y=0.36440000 Z=0.52486667
      -5: X=0.67790000 Y=0.04230000 Z=0.69153333
      -5: X=0.63560000 Y=0.67790000 Z=0.85820000
      -5: X=0.95770000 Y=0.63560000 Z=0.02486667
      -5: X=0.32210000 Y=0.95770000 Z=0.19153333
S          NPT=  781  R0=.000100000 RMT= 2.04        Z:  16.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000