H   LATTICE,NONEQUIV.ATOMS   5  173 P63                                        
MODE OF CALC=RELA unit=bohr                                                    
 18.039893 18.039893  9.967360 90.000000 90.000000120.000000                   
ATOM  -1: X=0.33333333 Y=0.66666667 Z=0.30481000
          MULT= 2          ISPLIT= 4
      -1: X=0.66666666 Y=0.33333333 Z=0.80481000
In         NPT=  781  R0=.000010000 RMT= 2.16        Z:  49.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -2: X=0.33568000 Y=0.02062000 Z=0.16913000
          MULT= 6          ISPLIT= 8
      -2: X=0.31506000 Y=0.33568000 Z=0.66913000
      -2: X=0.97938000 Y=0.31506000 Z=0.16913000
      -2: X=0.66432000 Y=0.97938000 Z=0.66913000
      -2: X=0.68494000 Y=0.66432000 Z=0.16913000
      -2: X=0.02062000 Y=0.68494000 Z=0.66913000
I          NPT=  781  R0=.000010000 RMT= 1.80        Z:  53.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -3: X=0.54000000 Y=0.12070000 Z=0.03440000
          MULT= 6          ISPLIT= 8
      -3: X=0.41930000 Y=0.54000000 Z=0.53440000
      -3: X=0.87930000 Y=0.41930000 Z=0.03440000
      -3: X=0.46000000 Y=0.87930000 Z=0.53440000
      -3: X=0.58070000 Y=0.46000000 Z=0.03440000
      -3: X=0.12070000 Y=0.58070000 Z=0.53440000
O          NPT=  781  R0=.000100000 RMT= 1.54        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  -4: X=0.18130000 Y=0.46650000 Z=0.06590000
          MULT= 6          ISPLIT= 8
      -4: X=0.71480000 Y=0.18130000 Z=0.56590000
      -4: X=0.53350000 Y=0.71480000 Z=0.06590000
      -4: X=0.81870000 Y=0.53350000 Z=0.56590000
      -4: X=0.28520000 Y=0.81870000 Z=0.06590000
      -4: X=0.46650000 Y=0.28520000 Z=0.56590000
O          NPT=  781  R0=.000100000 RMT= 1.54        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  -5: X=0.16910000 Y=0.22840000 Z=0.42940000
          MULT= 6          ISPLIT= 8
      -5: X=0.94070000 Y=0.16910000 Z=0.92940000
      -5: X=0.77160000 Y=0.94070000 Z=0.42940000
      -5: X=0.83090000 Y=0.77160000 Z=0.92940000
      -5: X=0.05930000 Y=0.83090000 Z=0.42940000
      -5: X=0.22840000 Y=0.05930000 Z=0.92940000
O          NPT=  781  R0=.000100000 RMT= 1.54        Z:   8.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000