H   LATTICE,NONEQUIV.ATOMS  11  194 P63/mmc                                    
MODE OF CALC=RELA unit=bohr                                                    
 11.207210 11.207210 55.792085 90.000000 90.000000120.000000                   
ATOM  -1: X=0.00000000 Y=0.00000000 Z=0.12687000
          MULT= 4          ISPLIT= 4
      -1: X=0.00000000 Y=0.00000000 Z=0.87313000
      -1: X=0.00000000 Y=0.00000000 Z=0.62687000
      -1: X=0.00000000 Y=0.00000000 Z=0.37313000
Y          NPT=  781  R0=.000010000 RMT= 2.16        Z:  39.00000              
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=0.00000000
          MULT= 2          ISPLIT= 4
      -2: X=0.00000000 Y=0.00000000 Z=0.50000000
Ba         NPT=  781  R0=.000010000 RMT= 2.33        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=0.33333333 Y=0.66666667 Z=0.58815000
          MULT= 4          ISPLIT= 4
      -3: X=0.66666667 Y=0.33333333 Z=0.41185000
      -3: X=0.66666666 Y=0.33333333 Z=0.08815000
      -3: X=0.33333334 Y=0.66666667 Z=0.91185000
Ba         NPT=  781  R0=.000010000 RMT= 2.33        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  -4: X=0.33333333 Y=0.66666667 Z=0.18285000
          MULT= 4          ISPLIT= 4
      -4: X=0.66666667 Y=0.33333333 Z=0.81715000
      -4: X=0.66666666 Y=0.33333333 Z=0.68285000
      -4: X=0.33333334 Y=0.66666667 Z=0.31715000
Ba         NPT=  781  R0=.000010000 RMT= 2.33        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  -5: X=0.00000000 Y=0.00000000 Z=0.25000000
          MULT= 2          ISPLIT= 4
      -5: X=0.00000000 Y=0.00000000 Z=0.75000000
Ba         NPT=  781  R0=.000010000 RMT= 2.33        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  -6: X=0.33333333 Y=0.66666667 Z=0.05490000
          MULT= 4          ISPLIT= 4
      -6: X=0.66666667 Y=0.33333333 Z=0.94510000
      -6: X=0.66666666 Y=0.33333333 Z=0.55490000
      -6: X=0.33333334 Y=0.66666667 Z=0.44510000
Ti         NPT=  781  R0=.000050000 RMT= 1.72        Z:  22.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -7: X=0.33333333 Y=0.66666667 Z=0.70390000
          MULT= 4          ISPLIT= 4
      -7: X=0.66666667 Y=0.33333333 Z=0.29610000
      -7: X=0.66666666 Y=0.33333333 Z=0.20390000
      -7: X=0.33333334 Y=0.66666667 Z=0.79610000
Ti         NPT=  781  R0=.000050000 RMT= 1.72        Z:  22.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -8: X=0.33333333 Y=0.66666667 Z=0.50410000
          MULT= 4          ISPLIT= 4
      -8: X=0.66666667 Y=0.33333333 Z=0.49590000
      -8: X=0.66666666 Y=0.33333333 Z=0.00410000
      -8: X=0.33333334 Y=0.66666667 Z=0.99590000
O          NPT=  781  R0=.000100000 RMT= 1.55        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  -9: X=0.16890000 Y=0.33780000 Z=0.07797000
          MULT=12          ISPLIT= 8
      -9: X=0.83110000 Y=0.66220000 Z=0.92203000
      -9: X=0.83110000 Y=0.16890000 Z=0.57797000
      -9: X=0.16890000 Y=0.83110000 Z=0.42203000
      -9: X=0.33780000 Y=0.16890000 Z=0.57797000
      -9: X=0.66220000 Y=0.83110000 Z=0.42203000
      -9: X=0.66220000 Y=0.83110000 Z=0.07797000
      -9: X=0.33780000 Y=0.16890000 Z=0.92203000
      -9: X=0.83110000 Y=0.66220000 Z=0.57797000
      -9: X=0.16890000 Y=0.33780000 Z=0.42203000
      -9: X=0.16890000 Y=0.83110000 Z=0.07797000
      -9: X=0.83110000 Y=0.16890000 Z=0.92203000
O          NPT=  781  R0=.000100000 RMT= 1.55        Z:   8.00000              
LOCAL ROT MATRIX:    0.0000000-0.5000000 0.8660254
                     0.0000000-0.8660254-0.5000000
                     1.0000000 0.0000000 0.0000000
ATOM -10: X=0.17550000 Y=0.35100000 Z=0.66875000
          MULT=12          ISPLIT= 8
     -10: X=0.82450000 Y=0.64900000 Z=0.33125000
     -10: X=0.82450000 Y=0.17550000 Z=0.16875000
     -10: X=0.17550000 Y=0.82450000 Z=0.83125000
     -10: X=0.35100000 Y=0.17550000 Z=0.16875000
     -10: X=0.64900000 Y=0.82450000 Z=0.83125000
     -10: X=0.64900000 Y=0.82450000 Z=0.66875000
     -10: X=0.35100000 Y=0.17550000 Z=0.33125000
     -10: X=0.82450000 Y=0.64900000 Z=0.16875000
     -10: X=0.17550000 Y=0.35100000 Z=0.83125000
     -10: X=0.17550000 Y=0.82450000 Z=0.66875000
     -10: X=0.82450000 Y=0.17550000 Z=0.33125000
O          NPT=  781  R0=.000100000 RMT= 1.55        Z:   8.00000              
LOCAL ROT MATRIX:    0.0000000-0.5000000 0.8660254
                     0.0000000-0.8660254-0.5000000
                     1.0000000 0.0000000 0.0000000
ATOM -11: X=0.52120000 Y=0.04240000 Z=0.25000000
          MULT= 6          ISPLIT= 8
     -11: X=0.47880000 Y=0.95760000 Z=0.75000000
     -11: X=0.47880000 Y=0.52120000 Z=0.75000000
     -11: X=0.52120000 Y=0.47880000 Z=0.25000000
     -11: X=0.04240000 Y=0.52120000 Z=0.75000000
     -11: X=0.95760000 Y=0.47880000 Z=0.25000000
O          NPT=  781  R0=.000100000 RMT= 1.55        Z:   8.00000              
LOCAL ROT MATRIX:    0.0000000 0.8660254 0.5000000
                     0.0000000-0.5000000 0.8660254
                     1.0000000 0.0000000 0.0000000