H   LATTICE,NONEQUIV.ATOMS   6  194 P63/mmc                                    
MODE OF CALC=RELA unit=bohr                                                    
 10.816414 10.816414 26.389836 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=0.09671000
          MULT= 4          ISPLIT= 4
      -2: X=0.66666667 Y=0.33333333 Z=0.90329000
      -2: X=0.66666666 Y=0.33333333 Z=0.59671000
      -2: X=0.33333334 Y=0.66666667 Z=0.40329000
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
Ti         NPT=  781  R0=.000050000 RMT= 1.93        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  -4: X=0.33333333 Y=0.66666667 Z=0.65367000
          MULT= 4          ISPLIT= 4
      -4: X=0.66666667 Y=0.33333333 Z=0.34633000
      -4: X=0.66666666 Y=0.33333333 Z=0.15367000
      -4: X=0.33333334 Y=0.66666667 Z=0.84633000
Ti         NPT=  781  R0=.000050000 RMT= 1.93        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  -5: X=0.51850000 Y=0.03700000 Z=0.25000000
          MULT= 6          ISPLIT= 8
      -5: X=0.48150000 Y=0.96300000 Z=0.75000000
      -5: X=0.48150000 Y=0.51850000 Z=0.75000000
      -5: X=0.51850000 Y=0.48150000 Z=0.25000000
      -5: X=0.03700000 Y=0.51850000 Z=0.75000000
      -5: X=0.96300000 Y=0.48150000 Z=0.25000000
O          NPT=  781  R0=.000100000 RMT= 1.75        Z:   8.00000              
LOCAL ROT MATRIX:    0.0000000 0.8660254 0.5000000
                     0.0000000-0.5000000 0.8660254
                     1.0000000 0.0000000 0.0000000
ATOM  -6: X=0.16510000 Y=0.33020000 Z=0.58020000
          MULT=12          ISPLIT= 8
      -6: X=0.83490000 Y=0.66980000 Z=0.41980000
      -6: X=0.83490000 Y=0.16510000 Z=0.08020000
      -6: X=0.16510000 Y=0.83490000 Z=0.91980000
      -6: X=0.33020000 Y=0.16510000 Z=0.08020000
      -6: X=0.66980000 Y=0.83490000 Z=0.91980000
      -6: X=0.66980000 Y=0.83490000 Z=0.58020000
      -6: X=0.33020000 Y=0.16510000 Z=0.41980000
      -6: X=0.83490000 Y=0.66980000 Z=0.08020000
      -6: X=0.16510000 Y=0.33020000 Z=0.91980000
      -6: X=0.16510000 Y=0.83490000 Z=0.58020000
      -6: X=0.83490000 Y=0.16510000 Z=0.41980000
O          NPT=  781  R0=.000100000 RMT= 1.75        Z:   8.00000              
LOCAL ROT MATRIX:    0.0000000-0.5000000 0.8660254
                     0.0000000-0.8660254-0.5000000
                     1.0000000 0.0000000 0.0000000