H   LATTICE,NONEQUIV.ATOMS   6  176 P63/m                                      
MODE OF CALC=RELA unit=bohr                                                    
 11.694570 11.694570 30.476936 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= 2.42        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=0.61930000
          MULT= 4          ISPLIT= 4
      -2: X=0.66666667 Y=0.33333333 Z=0.38070000
      -2: X=0.66666666 Y=0.33333333 Z=0.11930000
      -2: X=0.33333334 Y=0.66666667 Z=0.88070000
Ba         NPT=  781  R0=.000010000 RMT= 2.42        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
Ba         NPT=  781  R0=.000010000 RMT= 2.42        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=0.15740000
          MULT= 4          ISPLIT= 4
      -4: X=0.66666667 Y=0.33333333 Z=0.84260000
      -4: X=0.66666666 Y=0.33333333 Z=0.65740000
      -4: X=0.33333334 Y=0.66666667 Z=0.34260000
Ta         NPT=  781  R0=.000005000 RMT= 1.88        Z:  73.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -5: X=0.04590000 Y=0.50260000 Z=0.25000000
          MULT= 6          ISPLIT= 8
      -5: X=0.95410000 Y=0.49740000 Z=0.75000000
      -5: X=0.54330000 Y=0.04590000 Z=0.75000000
      -5: X=0.45670000 Y=0.95410000 Z=0.25000000
      -5: X=0.49740000 Y=0.54330000 Z=0.25000000
      -5: X=0.50260000 Y=0.45670000 Z=0.75000000
O          NPT=  781  R0=.000100000 RMT= 1.62        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=0.21690000 Y=0.36110000 Z=0.10452000
          MULT=12          ISPLIT= 8
      -6: X=0.78310000 Y=0.63890000 Z=0.89548000
      -6: X=0.85580000 Y=0.21690000 Z=0.60452000
      -6: X=0.14420000 Y=0.78310000 Z=0.39548000
      -6: X=0.63890000 Y=0.85580000 Z=0.10452000
      -6: X=0.36110000 Y=0.14420000 Z=0.89548000
      -6: X=0.78310000 Y=0.63890000 Z=0.60452000
      -6: X=0.21690000 Y=0.36110000 Z=0.39548000
      -6: X=0.14420000 Y=0.78310000 Z=0.10452000
      -6: X=0.85580000 Y=0.21690000 Z=0.89548000
      -6: X=0.36110000 Y=0.14420000 Z=0.60452000
      -6: X=0.63890000 Y=0.85580000 Z=0.39548000
O          NPT=  781  R0=.000100000 RMT= 1.62        Z:   8.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000