R   LATTICE,NONEQUIV.ATOMS   9  146 R3                                         
MODE OF CALC=RELA unit=bohr                                                    
 21.607129 21.607129 12.251279 90.000000 90.000000120.000000                   
ATOM  -1: X=0.00000000 Y=0.00000000 Z=0.00000000
          MULT= 1          ISPLIT= 4
Al         NPT=  781  R0=.000100000 RMT= 1.71        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=0.08038000 Y=0.29182000 Z=0.80000000
          MULT= 3          ISPLIT= 8
      -2: X=0.29182000 Y=0.80000000 Z=0.08038000
      -2: X=0.80000000 Y=0.08038000 Z=0.29182000
Al         NPT=  781  R0=.000100000 RMT= 1.71        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=0.52743000 Y=0.07484000 Z=0.10312000
          MULT= 3          ISPLIT= 8
      -3: X=0.07484000 Y=0.10312000 Z=0.52743000
      -3: X=0.10312000 Y=0.52743000 Z=0.07484000
O          NPT=  781  R0=.000100000 RMT= 1.35        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=0.69097000 Y=0.50395000 Z=0.39337000
          MULT= 3          ISPLIT= 8
      -4: X=0.50395000 Y=0.39337000 Z=0.69097000
      -4: X=0.39337000 Y=0.69097000 Z=0.50395000
O          NPT=  781  R0=.000100000 RMT= 1.35        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=0.28153000 Y=0.23869000 Z=0.02437000
          MULT= 3          ISPLIT= 8
      -5: X=0.23869000 Y=0.02437000 Z=0.28153000
      -5: X=0.02437000 Y=0.28153000 Z=0.23869000
O          NPT=  781  R0=.000100000 RMT= 1.35        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  -6: X=0.74502000 Y=0.82099000 Z=0.02130000
          MULT= 3          ISPLIT= 8
      -6: X=0.82099000 Y=0.02130000 Z=0.74502000
      -6: X=0.02130000 Y=0.74502000 Z=0.82099000
O          NPT=  781  R0=.000100000 RMT= 1.35        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  -7: X=0.32799000 Y=0.57379000 Z=0.87402000
          MULT= 3          ISPLIT= 8
      -7: X=0.57379000 Y=0.87402000 Z=0.32799000
      -7: X=0.87402000 Y=0.32799000 Z=0.57379000
O          NPT=  781  R0=.000100000 RMT= 1.35        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  -8: X=0.52750000 Y=0.60590000 Z=0.85480000
          MULT= 3          ISPLIT= 8
      -8: X=0.60590000 Y=0.85480000 Z=0.52750000
      -8: X=0.85480000 Y=0.52750000 Z=0.60590000
B          NPT=  781  R0=.000100000 RMT= 1.16        Z:   5.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -9: X=0.50850000 Y=0.27029000 Z=0.17770000
          MULT= 3          ISPLIT= 8
      -9: X=0.27029000 Y=0.17770000 Z=0.50850000
      -9: X=0.17770000 Y=0.50850000 Z=0.27029000
B          NPT=  781  R0=.000100000 RMT= 1.16        Z:   5.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000