H   LATTICE,NONEQUIV.ATOMS   3  181 P6422                                      
MODE OF CALC=RELA unit=bohr                                                    
  9.524409  9.524409 20.906040 90.000000 90.000000120.000000                   
ATOM  -1: X=0.50000000 Y=0.00000000 Z=0.00000000
          MULT= 3          ISPLIT= 8
      -1: X=0.50000000 Y=0.50000000 Z=0.66666667
      -1: X=0.00000000 Y=0.50000000 Z=0.33333334
Al         NPT=  781  R0=.000100000 RMT= 1.40        Z:  13.00000              
LOCAL ROT MATRIX:    0.8660254 0.5000000 0.0000000
                    -0.5000000 0.8660254 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -2: X=0.50000000 Y=0.00000000 Z=0.50000000
          MULT= 3          ISPLIT= 8
      -2: X=0.50000000 Y=0.50000000 Z=0.16666667
      -2: X=0.00000000 Y=0.50000000 Z=0.83333334
P          NPT=  781  R0=.000100000 RMT= 1.52        Z:  15.00000              
LOCAL ROT MATRIX:    0.8660254 0.5000000 0.0000000
                    -0.5000000 0.8660254 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -3: X=0.42030000 Y=0.19150000 Z=0.07793000
          MULT=12          ISPLIT= 8
      -3: X=0.22880000 Y=0.42030000 Z=0.74459667
      -3: X=0.80850000 Y=0.57970000 Z=0.25540334
      -3: X=0.80850000 Y=0.22880000 Z=0.41126333
      -3: X=0.22880000 Y=0.80850000 Z=0.92207000
      -3: X=0.57970000 Y=0.80850000 Z=0.07793000
      -3: X=0.42030000 Y=0.22880000 Z=0.58873667
      -3: X=0.77120000 Y=0.57970000 Z=0.74459667
      -3: X=0.19150000 Y=0.42030000 Z=0.25540333
      -3: X=0.19150000 Y=0.77120000 Z=0.41126333
      -3: X=0.77120000 Y=0.19150000 Z=0.92207000
      -3: X=0.57970000 Y=0.77120000 Z=0.58873667
O          NPT=  781  R0=.000100000 RMT= 1.40        Z:   8.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000