H   LATTICE,NONEQUIV.ATOMS   5  186 P63mc                                      
MODE OF CALC=RELA unit=bohr                                                    
 20.480852 20.480852 15.892597 90.000000 90.000000120.000000                   
ATOM  -1: X=0.33333333 Y=0.66666667 Z=0.02342000
          MULT= 2          ISPLIT= 4
      -1: X=0.66666666 Y=0.33333333 Z=0.52342000
Ba         NPT=  781  R0=.000010000 RMT= 2.39        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=0.79641000 Y=0.20359000 Z=0.12927000
          MULT= 6          ISPLIT= 8
      -2: X=0.59282000 Y=0.79641000 Z=0.62927000
      -2: X=0.20359000 Y=0.79641000 Z=0.62927000
      -2: X=0.79641000 Y=0.59282000 Z=0.12927000
      -2: X=0.40718000 Y=0.20359000 Z=0.12927000
      -2: X=0.20359000 Y=0.40718000 Z=0.62927000
Ba         NPT=  781  R0=.000010000 RMT= 2.39        Z:  56.00000              
LOCAL ROT MATRIX:    0.0000000 0.5000000 0.8660254
                     0.0000000-0.8660254 0.5000000
                     1.0000000 0.0000000 0.0000000
ATOM  -3: X=0.46772000 Y=0.53228000 Z=0.32627000
          MULT= 6          ISPLIT= 8
      -3: X=0.93544000 Y=0.46772000 Z=0.82627000
      -3: X=0.53228000 Y=0.46772000 Z=0.82627000
      -3: X=0.46772000 Y=0.93544000 Z=0.32627000
      -3: X=0.06456000 Y=0.53228000 Z=0.32627000
      -3: X=0.53228000 Y=0.06456000 Z=0.82627000
I          NPT=  781  R0=.000010000 RMT= 2.50000     Z:  53.00000              
LOCAL ROT MATRIX:    0.0000000 0.5000000 0.8660254
                     0.0000000-0.8660254 0.5000000
                     1.0000000 0.0000000 0.0000000
ATOM  -4: X=0.13667000 Y=0.86333000 Z=0.01355000
          MULT= 6          ISPLIT= 8
      -4: X=0.27334000 Y=0.13667000 Z=0.51355000
      -4: X=0.86333000 Y=0.13667000 Z=0.51355000
      -4: X=0.13667000 Y=0.27334000 Z=0.01355000
      -4: X=0.72666000 Y=0.86333000 Z=0.01355000
      -4: X=0.86333000 Y=0.72666000 Z=0.51355000
I          NPT=  781  R0=.000010000 RMT= 2.50000     Z:  53.00000              
LOCAL ROT MATRIX:    0.0000000 0.5000000 0.8660254
                     0.0000000-0.8660254 0.5000000
                     1.0000000 0.0000000 0.0000000
ATOM  -5: X=0.33333333 Y=0.66666667 Z=0.72120000
          MULT= 2          ISPLIT= 4
      -5: X=0.66666666 Y=0.33333333 Z=0.22120000
O          NPT=  781  R0=.000100000 RMT= 2.39        Z:   8.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000