H   LATTICE,NONEQUIV.ATOMS   4  154 P3221                                      
MODE OF CALC=RELA unit=bohr                                                    
  9.437103  9.437103 20.805885 90.000000 90.000000120.000000                   
ATOM  -1: X=0.46646000 Y=0.00000000 Z=0.83333333
          MULT= 6          ISPLIT= 8
      -1: X=0.00000000 Y=0.46646000 Z=0.50000000
      -1: X=0.00000000 Y=0.46646000 Z=0.16666667
      -1: X=0.53354000 Y=0.53354000 Z=0.16666666
      -1: X=0.53354000 Y=0.53354000 Z=0.83333334
      -1: X=0.46646000 Y=0.00000000 Z=0.50000000
Al         NPT=  781  R0=.000100000 RMT= 1.18        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=0.46690000 Y=0.00000000 Z=0.33333333
          MULT= 6          ISPLIT= 8
      -2: X=0.00000000 Y=0.46690000 Z=0.00000000
      -2: X=0.00000000 Y=0.46690000 Z=0.66666667
      -2: X=0.53310000 Y=0.53310000 Z=0.66666666
      -2: X=0.53310000 Y=0.53310000 Z=0.33333334
      -2: X=0.46690000 Y=0.00000000 Z=0.00000000
P          NPT=  781  R0=.000100000 RMT= 1.18        Z:  15.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -3: X=0.29190000 Y=0.41640000 Z=0.10254000
          MULT= 6          ISPLIT= 8
      -3: X=0.58360000 Y=0.87550000 Z=0.76920667
      -3: X=0.41640000 Y=0.29190000 Z=0.89746000
      -3: X=0.12450000 Y=0.70810000 Z=0.43587333
      -3: X=0.70810000 Y=0.12450000 Z=0.56412667
      -3: X=0.87550000 Y=0.58360000 Z=0.23079333
O          NPT=  781  R0=.000100000 RMT= 1.18        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=0.41550000 Y=0.25740000 Z=0.38382000
          MULT= 6          ISPLIT= 8
      -4: X=0.74260000 Y=0.15810000 Z=0.05048667
      -4: X=0.25740000 Y=0.41550000 Z=0.61618000
      -4: X=0.84190000 Y=0.58450000 Z=0.71715333
      -4: X=0.58450000 Y=0.84190000 Z=0.28284667
      -4: X=0.15810000 Y=0.74260000 Z=0.94951333
O          NPT=  781  R0=.000100000 RMT= 1.18        Z:   8.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000