R   LATTICE,NONEQUIV.ATOMS   4  167 R-3c                                       
MODE OF CALC=RELA unit=bohr                                                    
 28.568882 28.568882 14.195618 90.000000 90.000000120.000000                   
ATOM  -1: X=0.71108000 Y=0.78892000 Z=0.25000000
          MULT= 6          ISPLIT= 8
      -1: X=0.28892000 Y=0.21108000 Z=0.75000000
      -1: X=0.78892000 Y=0.25000000 Z=0.71108000
      -1: X=0.21108000 Y=0.75000000 Z=0.28892000
      -1: X=0.25000000 Y=0.71108000 Z=0.78892000
      -1: X=0.75000000 Y=0.28892000 Z=0.21108000
Na         NPT=  781  R0=.000100000 RMT= 2.50000     Z:  11.00000              
LOCAL ROT MATRIX:    0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
                     1.0000000 0.0000000 0.0000000
ATOM  -2: X=0.12666000 Y=0.37334000 Z=0.25000000
          MULT= 6          ISPLIT= 8
      -2: X=0.87334000 Y=0.62666000 Z=0.75000000
      -2: X=0.37334000 Y=0.25000000 Z=0.12666000
      -2: X=0.62666000 Y=0.75000000 Z=0.87334000
      -2: X=0.25000000 Y=0.12666000 Z=0.37334000
      -2: X=0.75000000 Y=0.87334000 Z=0.62666000
S          NPT=  781  R0=.000100000 RMT= 1.74        Z:  16.00000              
LOCAL ROT MATRIX:    0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
                     1.0000000 0.0000000 0.0000000
ATOM  -3: X=0.48469000 Y=0.01531000 Z=0.25000000
          MULT= 6          ISPLIT= 8
      -3: X=0.51531000 Y=0.98469000 Z=0.75000000
      -3: X=0.01531000 Y=0.25000000 Z=0.48469000
      -3: X=0.98469000 Y=0.75000000 Z=0.51531000
      -3: X=0.25000000 Y=0.48469000 Z=0.01531000
      -3: X=0.75000000 Y=0.51531000 Z=0.98469000
S          NPT=  781  R0=.000100000 RMT= 1.74        Z:  16.00000              
LOCAL ROT MATRIX:    0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
                     1.0000000 0.0000000 0.0000000
ATOM  -4: X=0.36770000 Y=0.13230000 Z=0.25000000
          MULT= 6          ISPLIT= 8
      -4: X=0.63230000 Y=0.86770000 Z=0.75000000
      -4: X=0.13230000 Y=0.25000000 Z=0.36770000
      -4: X=0.86770000 Y=0.75000000 Z=0.63230000
      -4: X=0.25000000 Y=0.36770000 Z=0.13230000
      -4: X=0.75000000 Y=0.63230000 Z=0.86770000
B          NPT=  781  R0=.000100000 RMT= 1.58        Z:   5.00000              
LOCAL ROT MATRIX:    0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
                     1.0000000 0.0000000 0.0000000