R   LATTICE,NONEQUIV.ATOMS   3  148 R-3                                        
MODE OF CALC=RELA unit=bohr                                                    
  9.307658  9.307658 23.522744 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= 1.64        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=0.50000000 Y=0.50000000 Z=0.50000000
          MULT= 1          ISPLIT= 4
Al         NPT=  781  R0=.000100000 RMT= 1.64        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=0.17520000 Y=0.32410000 Z=0.74970000
          MULT= 6          ISPLIT= 8
      -3: X=0.82480000 Y=0.67590000 Z=0.25030000
      -3: X=0.32410000 Y=0.74970000 Z=0.17520000
      -3: X=0.67590000 Y=0.25030000 Z=0.82480000
      -3: X=0.74970000 Y=0.17520000 Z=0.32410000
      -3: X=0.25030000 Y=0.82480000 Z=0.67590000
F          NPT=  781  R0=.000100000 RMT= 1.73        Z:   9.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000