P   LATTICE,NONEQUIV.ATOMS   5  218 P-43n                                      
MODE OF CALC=RELA unit=bohr                                                    
 17.023409 17.023409 17.023409 90.000000 90.000000 90.000000                   
ATOM  -1: X=0.25000000 Y=0.00000000 Z=0.50000000
          MULT= 6          ISPLIT=-2
      -1: X=0.50000000 Y=0.25000000 Z=0.00000000
      -1: X=0.75000000 Y=0.00000000 Z=0.50000000
      -1: X=0.50000000 Y=0.75000000 Z=0.00000000
      -1: X=0.00000000 Y=0.50000000 Z=0.25000000
      -1: X=0.00000000 Y=0.50000000 Z=0.75000000
Ga         NPT=  781  R0=.000050000 RMT= 1.80        Z:  31.00000              
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=0.50000000 Z=0.00000000
          MULT= 6          ISPLIT=-2
      -2: X=0.00000000 Y=0.25000000 Z=0.50000000
      -2: X=0.75000000 Y=0.50000000 Z=0.00000000
      -2: X=0.00000000 Y=0.75000000 Z=0.50000000
      -2: X=0.50000000 Y=0.00000000 Z=0.25000000
      -2: X=0.50000000 Y=0.00000000 Z=0.75000000
Si         NPT=  781  R0=.000100000 RMT= 1.40        Z:  14.00000              
LOCAL ROT MATRIX:    0.0000000 0.0000000 1.0000000
                     1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
ATOM  -3: X=0.13510000 Y=0.15310000 Z=0.43280000
          MULT=24          ISPLIT= 8
      -3: X=0.65310000 Y=0.36490000 Z=0.06720000
      -3: X=0.13510000 Y=0.84690000 Z=0.56720000
      -3: X=0.43280000 Y=0.13510000 Z=0.15310000
      -3: X=0.86490000 Y=0.84690000 Z=0.43280000
      -3: X=0.34690000 Y=0.36490000 Z=0.93280000
      -3: X=0.63510000 Y=0.06720000 Z=0.34690000
      -3: X=0.34690000 Y=0.63510000 Z=0.06720000
      -3: X=0.86490000 Y=0.15310000 Z=0.56720000
      -3: X=0.56720000 Y=0.86490000 Z=0.15310000
      -3: X=0.65310000 Y=0.63510000 Z=0.93280000
      -3: X=0.36490000 Y=0.93280000 Z=0.34690000
      -3: X=0.43280000 Y=0.86490000 Z=0.84690000
      -3: X=0.36490000 Y=0.06720000 Z=0.65310000
      -3: X=0.56720000 Y=0.13510000 Z=0.84690000
      -3: X=0.63510000 Y=0.93280000 Z=0.65310000
      -3: X=0.06720000 Y=0.65310000 Z=0.36490000
      -3: X=0.15310000 Y=0.43280000 Z=0.13510000
      -3: X=0.93280000 Y=0.34690000 Z=0.36490000
      -3: X=0.84690000 Y=0.56720000 Z=0.13510000
      -3: X=0.06720000 Y=0.34690000 Z=0.63510000
      -3: X=0.84690000 Y=0.43280000 Z=0.86490000
      -3: X=0.93280000 Y=0.65310000 Z=0.63510000
      -3: X=0.15310000 Y=0.56720000 Z=0.86490000
O          NPT=  781  R0=.000100000 RMT= 1.63        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=0.18140000 Y=0.18140000 Z=0.18140000
          MULT= 8          ISPLIT= 4
      -4: X=0.68140000 Y=0.31860000 Z=0.31860000
      -4: X=0.18140000 Y=0.81860000 Z=0.81860000
      -4: X=0.81860000 Y=0.81860000 Z=0.18140000
      -4: X=0.31860000 Y=0.31860000 Z=0.68140000
      -4: X=0.31860000 Y=0.68140000 Z=0.31860000
      -4: X=0.81860000 Y=0.18140000 Z=0.81860000
      -4: X=0.68140000 Y=0.68140000 Z=0.68140000
Na         NPT=  781  R0=.000100000 RMT= 2.18        Z:  11.00000              
LOCAL ROT MATRIX:    0.7071068 0.4082483 0.5773503
                    -0.7071068 0.4082483 0.5773503
                     0.0000000-0.8164966 0.5773503
ATOM   5: X=0.00000000 Y=0.00000000 Z=0.00000000
          MULT= 2          ISPLIT= 2
       5: 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