R   LATTICE,NONEQUIV.ATOMS   6  161 R3c                                        
MODE OF CALC=RELA unit=bohr                                                    
 46.347423 46.347423 18.492848 90.000000 90.000000120.000000                   
ATOM  -1: X=0.12150000 Y=0.31240000 Z=0.90720000
          MULT= 6          ISPLIT= 8
      -1: X=0.31240000 Y=0.90720000 Z=0.12150000
      -1: X=0.62150000 Y=0.40720000 Z=0.81240000
      -1: X=0.90720000 Y=0.12150000 Z=0.31240000
      -1: X=0.40720000 Y=0.81240000 Z=0.62150000
      -1: X=0.81240000 Y=0.62150000 Z=0.40720000
Rb         NPT=  781  R0=.000010000 RMT= 2.50000     Z:  37.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -2: X=0.31751000 Y=0.13604000 Z=0.92415000
          MULT= 6          ISPLIT= 8
      -2: X=0.13604000 Y=0.92415000 Z=0.31751000
      -2: X=0.81751000 Y=0.42415000 Z=0.63604000
      -2: X=0.92415000 Y=0.31751000 Z=0.13604000
      -2: X=0.42415000 Y=0.63604000 Z=0.81751000
      -2: X=0.63604000 Y=0.81751000 Z=0.42415000
In         NPT=  781  R0=.000010000 RMT= 2.50000     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  -3: X=0.08501000 Y=0.03102000 Z=0.88397000
          MULT= 6          ISPLIT= 8
      -3: X=0.03102000 Y=0.88397000 Z=0.08501000
      -3: X=0.58501000 Y=0.38397000 Z=0.53102000
      -3: X=0.88397000 Y=0.08501000 Z=0.03102000
      -3: X=0.38397000 Y=0.53102000 Z=0.58501000
      -3: X=0.53102000 Y=0.58501000 Z=0.38397000
I          NPT=  781  R0=.000010000 RMT= 2.50000     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  -4: X=0.16799000 Y=0.42664000 Z=0.71908000
          MULT= 6          ISPLIT= 8
      -4: X=0.42664000 Y=0.71908000 Z=0.16799000
      -4: X=0.66799000 Y=0.21908000 Z=0.92664000
      -4: X=0.71908000 Y=0.16799000 Z=0.42664000
      -4: X=0.21908000 Y=0.92664000 Z=0.66799000
      -4: X=0.92664000 Y=0.66799000 Z=0.21908000
I          NPT=  781  R0=.000010000 RMT= 2.50000     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  -5: X=0.49169000 Y=0.88722000 Z=0.94998000
          MULT= 6          ISPLIT= 8
      -5: X=0.88722000 Y=0.94998000 Z=0.49169000
      -5: X=0.99169000 Y=0.44998000 Z=0.38722000
      -5: X=0.94998000 Y=0.49169000 Z=0.88722000
      -5: X=0.44998000 Y=0.38722000 Z=0.99169000
      -5: X=0.38722000 Y=0.99169000 Z=0.44998000
I          NPT=  781  R0=.000010000 RMT= 2.50000     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  -6: X=0.52848000 Y=0.21100000 Z=0.15872000
          MULT= 6          ISPLIT= 8
      -6: X=0.21100000 Y=0.15872000 Z=0.52848000
      -6: X=0.02848000 Y=0.65872000 Z=0.71100000
      -6: X=0.15872000 Y=0.52848000 Z=0.21100000
      -6: X=0.65872000 Y=0.71100000 Z=0.02848000
      -6: X=0.71100000 Y=0.02848000 Z=0.65872000
I          NPT=  781  R0=.000010000 RMT= 2.50000     Z:  53.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000