H   LATTICE,NONEQUIV.ATOMS   6  163 P-31c                                      
MODE OF CALC=RELA unit=bohr                                                    
  9.092039  9.092039 28.871425 90.000000 90.000000120.000000                   
ATOM  -1: X=0.00000000 Y=0.00000000 Z=0.00000000
          MULT= 2          ISPLIT= 4
      -1: X=0.00000000 Y=0.00000000 Z=0.50000000
Na         NPT=  781  R0=.000100000 RMT= 2.24        Z:  11.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -2: X=0.00000000 Y=0.00000000 Z=0.25000000
          MULT= 2          ISPLIT= 4
      -2: X=0.00000000 Y=0.00000000 Z=0.75000000
Na         NPT=  781  R0=.000100000 RMT= 2.24        Z:  11.00000              
LOCAL ROT MATRIX:    0.0000000 1.0000000 0.0000000
                    -1.0000000 0.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -3: X=0.33333333 Y=0.66666667 Z=0.13774000
          MULT= 4          ISPLIT= 4
      -3: X=0.66666667 Y=0.33333333 Z=0.86226000
      -3: X=0.66666667 Y=0.33333333 Z=0.63774000
      -3: X=0.33333333 Y=0.66666667 Z=0.36226000
Al         NPT=  781  R0=.000100000 RMT= 1.61        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  -4: X=0.33333333 Y=0.66666667 Z=0.60322000
          MULT= 4          ISPLIT= 4
      -4: X=0.66666667 Y=0.33333333 Z=0.39678000
      -4: X=0.66666667 Y=0.33333333 Z=0.10322000
      -4: X=0.33333333 Y=0.66666667 Z=0.89678000
B          NPT=  781  R0=.000100000 RMT= 1.20        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  -5: X=0.39003000 Y=0.03857000 Z=0.10330000
          MULT=12          ISPLIT= 8
      -5: X=0.60997000 Y=0.96143000 Z=0.89670000
      -5: X=0.96143000 Y=0.35146000 Z=0.10330000
      -5: X=0.03857000 Y=0.64854000 Z=0.89670000
      -5: X=0.03857000 Y=0.39003000 Z=0.60330000
      -5: X=0.96143000 Y=0.60997000 Z=0.39670000
      -5: X=0.64854000 Y=0.60997000 Z=0.10330000
      -5: X=0.35146000 Y=0.39003000 Z=0.89670000
      -5: X=0.60997000 Y=0.64854000 Z=0.60330000
      -5: X=0.39003000 Y=0.35146000 Z=0.39670000
      -5: X=0.35146000 Y=0.96143000 Z=0.60330000
      -5: X=0.64854000 Y=0.03857000 Z=0.39670000
O          NPT=  781  R0=.000100000 RMT= 1.39        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=0.33333333 Y=0.66666667 Z=0.25000000
          MULT= 2          ISPLIT= 4
      -6: X=0.66666667 Y=0.33333333 Z=0.75000000
O          NPT=  781  R0=.000100000 RMT= 1.39        Z:   8.00000              
LOCAL ROT MATRIX:    0.0000000 1.0000000 0.0000000
                    -1.0000000 0.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000