P   LATTICE,NONEQUIV.ATOMS   5  218 P-43n                                      
MODE OF CALC=RELA unit=bohr                                                    
 16.400177 16.400177 16.400177 90.000000 90.000000 90.000000                   
ATOM  -1: X=0.25000000 Y=0.50000000 Z=0.00000000
          MULT= 6          ISPLIT=-2
      -1: X=0.00000000 Y=0.25000000 Z=0.50000000
      -1: X=0.75000000 Y=0.50000000 Z=0.00000000
      -1: X=0.00000000 Y=0.75000000 Z=0.50000000
      -1: X=0.50000000 Y=0.00000000 Z=0.25000000
      -1: X=0.50000000 Y=0.00000000 Z=0.75000000
Al         NPT=  781  R0=.000100000 RMT= 1.63        Z:  13.00000              
LOCAL ROT MATRIX:    0.0000000 0.0000000 1.0000000
                     1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
ATOM  -2: X=0.25000000 Y=0.00000000 Z=0.50000000
          MULT= 6          ISPLIT=-2
      -2: X=0.50000000 Y=0.25000000 Z=0.00000000
      -2: X=0.75000000 Y=0.00000000 Z=0.50000000
      -2: X=0.50000000 Y=0.75000000 Z=0.00000000
      -2: X=0.00000000 Y=0.50000000 Z=0.25000000
      -2: X=0.00000000 Y=0.50000000 Z=0.75000000
Ge         NPT=  781  R0=.000050000 RMT= 1.74        Z:  32.00000              
LOCAL ROT MATRIX:    0.0000000 0.0000000 1.0000000
                     1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
ATOM   3: X=0.00000000 Y=0.00000000 Z=0.00000000
          MULT= 2          ISPLIT= 2
       3: X=0.50000000 Y=0.50000000 Z=0.50000000
Br         NPT=  781  R0=.000050000 RMT= 2.50000     Z:  35.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -4: X=0.13770000 Y=0.13990000 Z=0.40540000
          MULT=24          ISPLIT= 8
      -4: X=0.63990000 Y=0.36230000 Z=0.09460000
      -4: X=0.13770000 Y=0.86010000 Z=0.59460000
      -4: X=0.40540000 Y=0.13770000 Z=0.13990000
      -4: X=0.86230000 Y=0.86010000 Z=0.40540000
      -4: X=0.36010000 Y=0.36230000 Z=0.90540000
      -4: X=0.63770000 Y=0.09460000 Z=0.36010000
      -4: X=0.36010000 Y=0.63770000 Z=0.09460000
      -4: X=0.86230000 Y=0.13990000 Z=0.59460000
      -4: X=0.59460000 Y=0.86230000 Z=0.13990000
      -4: X=0.63990000 Y=0.63770000 Z=0.90540000
      -4: X=0.36230000 Y=0.90540000 Z=0.36010000
      -4: X=0.40540000 Y=0.86230000 Z=0.86010000
      -4: X=0.36230000 Y=0.09460000 Z=0.63990000
      -4: X=0.59460000 Y=0.13770000 Z=0.86010000
      -4: X=0.63770000 Y=0.90540000 Z=0.63990000
      -4: X=0.09460000 Y=0.63990000 Z=0.36230000
      -4: X=0.13990000 Y=0.40540000 Z=0.13770000
      -4: X=0.90540000 Y=0.36010000 Z=0.36230000
      -4: X=0.86010000 Y=0.59460000 Z=0.13770000
      -4: X=0.09460000 Y=0.36010000 Z=0.63770000
      -4: X=0.86010000 Y=0.40540000 Z=0.86230000
      -4: X=0.90540000 Y=0.63990000 Z=0.63770000
      -4: X=0.13990000 Y=0.59460000 Z=0.86230000
O          NPT=  781  R0=.000100000 RMT= 1.57        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=0.18280000 Y=0.18280000 Z=0.18280000
          MULT= 8          ISPLIT= 4
      -5: X=0.68280000 Y=0.31720000 Z=0.31720000
      -5: X=0.18280000 Y=0.81720000 Z=0.81720000
      -5: X=0.81720000 Y=0.81720000 Z=0.18280000
      -5: X=0.31720000 Y=0.31720000 Z=0.68280000
      -5: X=0.31720000 Y=0.68280000 Z=0.31720000
      -5: X=0.81720000 Y=0.18280000 Z=0.81720000
      -5: X=0.68280000 Y=0.68280000 Z=0.68280000
Li         NPT=  781  R0=.000100000 RMT= 1.70        Z:   3.00000              
LOCAL ROT MATRIX:    0.7071068 0.4082483 0.5773503
                    -0.7071068 0.4082483 0.5773503
                     0.0000000-0.8164966 0.5773503