H   LATTICE,NONEQUIV.ATOMS   6  176 P63/m                                      
MODE OF CALC=RELA unit=bohr                                                    
 11.471394 11.471394 29.056051 90.000000 90.000000120.000000                   
ATOM  -1: X=0.00000000 Y=0.00000000 Z=0.25000000
          MULT= 2          ISPLIT= 4
      -1: X=0.00000000 Y=0.00000000 Z=0.75000000
Ba         NPT=  781  R0=.000010000 RMT= 2.50000     Z:  56.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -2: X=0.33333333 Y=0.66666667 Z=0.61850000
          MULT= 4          ISPLIT= 4
      -2: X=0.66666667 Y=0.33333333 Z=0.38150000
      -2: X=0.66666666 Y=0.33333333 Z=0.11850000
      -2: X=0.33333334 Y=0.66666667 Z=0.88150000
Ba         NPT=  781  R0=.000010000 RMT= 2.50000     Z:  56.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -3: X=0.00000000 Y=0.00000000 Z=0.00000000
          MULT= 2          ISPLIT= 4
      -3: X=0.00000000 Y=0.00000000 Z=0.50000000
Sr         NPT=  781  R0=.000010000 RMT= 2.27        Z:  38.00000              
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=0.15350000
          MULT= 4          ISPLIT= 4
      -4: X=0.66666667 Y=0.33333333 Z=0.84650000
      -4: X=0.66666666 Y=0.33333333 Z=0.65350000
      -4: X=0.33333334 Y=0.66666667 Z=0.34650000
Nb         NPT=  781  R0=.000010000 RMT= 1.85        Z:  41.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -5: X=0.04240000 Y=0.47790000 Z=0.25000000
          MULT= 6          ISPLIT= 8
      -5: X=0.95760000 Y=0.52210000 Z=0.75000000
      -5: X=0.56450000 Y=0.04240000 Z=0.75000000
      -5: X=0.43550000 Y=0.95760000 Z=0.25000000
      -5: X=0.52210000 Y=0.56450000 Z=0.25000000
      -5: X=0.47790000 Y=0.43550000 Z=0.75000000
O          NPT=  781  R0=.000100000 RMT= 1.68        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=0.23390000 Y=0.35540000 Z=0.09770000
          MULT=12          ISPLIT= 8
      -6: X=0.76610000 Y=0.64460000 Z=0.90230000
      -6: X=0.87850000 Y=0.23390000 Z=0.59770000
      -6: X=0.12150000 Y=0.76610000 Z=0.40230000
      -6: X=0.64460000 Y=0.87850000 Z=0.09770000
      -6: X=0.35540000 Y=0.12150000 Z=0.90230000
      -6: X=0.76610000 Y=0.64460000 Z=0.59770000
      -6: X=0.23390000 Y=0.35540000 Z=0.40230000
      -6: X=0.12150000 Y=0.76610000 Z=0.09770000
      -6: X=0.87850000 Y=0.23390000 Z=0.90230000
      -6: X=0.35540000 Y=0.12150000 Z=0.59770000
      -6: X=0.64460000 Y=0.87850000 Z=0.40230000
O          NPT=  781  R0=.000100000 RMT= 1.68        Z:   8.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000