R   LATTICE,NONEQUIV.ATOMS   5  148 R-3                                        
MODE OF CALC=RELA unit=bohr                                                    
 18.402154 18.402154 26.339002 90.000000 90.000000120.000000                   
ATOM  -1: X=0.12515000 Y=0.41622000 Z=0.71705000
          MULT= 6          ISPLIT= 8
      -1: X=0.87485000 Y=0.58378000 Z=0.28295000
      -1: X=0.41622000 Y=0.71705000 Z=0.12515000
      -1: X=0.58378000 Y=0.28295000 Z=0.87485000
      -1: X=0.71705000 Y=0.12515000 Z=0.41622000
      -1: X=0.28295000 Y=0.87485000 Z=0.58378000
I          NPT=  781  R0=.000010000 RMT= 1.82        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  -2: X=0.17445000 Y=0.17445000 Z=0.17445000
          MULT= 2          ISPLIT= 4
      -2: X=0.82555000 Y=0.82555000 Z=0.82555000
Sc         NPT=  781  R0=.000050000 RMT= 2.05        Z:  21.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -3: X=0.28670000 Y=0.93361000 Z=0.05770000
          MULT= 6          ISPLIT= 8
      -3: X=0.71330000 Y=0.06639000 Z=0.94230000
      -3: X=0.93361000 Y=0.05770000 Z=0.28670000
      -3: X=0.06639000 Y=0.94230000 Z=0.71330000
      -3: X=0.05770000 Y=0.28670000 Z=0.93361000
      -3: X=0.94230000 Y=0.71330000 Z=0.06639000
O          NPT=  781  R0=.000100000 RMT= 1.56        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=0.42510000 Y=0.29111000 Z=0.08440000
          MULT= 6          ISPLIT= 8
      -4: X=0.57490000 Y=0.70889000 Z=0.91560000
      -4: X=0.29111000 Y=0.08440000 Z=0.42510000
      -4: X=0.70889000 Y=0.91560000 Z=0.57490000
      -4: X=0.08440000 Y=0.42510000 Z=0.29111000
      -4: X=0.91560000 Y=0.57490000 Z=0.70889000
O          NPT=  781  R0=.000100000 RMT= 1.56        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=0.27640000 Y=0.56911000 Z=0.79310000
          MULT= 6          ISPLIT= 8
      -5: X=0.72360000 Y=0.43089000 Z=0.20690000
      -5: X=0.56911000 Y=0.79310000 Z=0.27640000
      -5: X=0.43089000 Y=0.20690000 Z=0.72360000
      -5: X=0.79310000 Y=0.27640000 Z=0.56911000
      -5: X=0.20690000 Y=0.72360000 Z=0.43089000
O          NPT=  781  R0=.000100000 RMT= 1.56        Z:   8.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000