R   LATTICE,NONEQUIV.ATOMS   6  167 R-3c                                       
MODE OF CALC=RELA unit=bohr                                                    
 17.519652 17.519652 68.001795 90.000000 90.000000120.000000                   
ATOM  -1: X=0.41807000 Y=0.08193000 Z=0.25000000
          MULT= 6          ISPLIT= 8
      -1: X=0.58193000 Y=0.91807000 Z=0.75000000
      -1: X=0.08193000 Y=0.25000000 Z=0.41807000
      -1: X=0.91807000 Y=0.75000000 Z=0.58193000
      -1: X=0.25000000 Y=0.41807000 Z=0.08193000
      -1: X=0.75000000 Y=0.58193000 Z=0.91807000
Mo         NPT=  781  R0=.000010000 RMT= 2.42        Z:  42.00000              
LOCAL ROT MATRIX:    0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
                     1.0000000 0.0000000 0.0000000
ATOM  -2: X=0.35699000 Y=0.17678000 Z=0.02786000
          MULT=12          ISPLIT= 8
      -2: X=0.64301000 Y=0.82322000 Z=0.97214000
      -2: X=0.17678000 Y=0.02786000 Z=0.35699000
      -2: X=0.82322000 Y=0.97214000 Z=0.64301000
      -2: X=0.85699000 Y=0.52786000 Z=0.67678000
      -2: X=0.14301000 Y=0.47214000 Z=0.32322000
      -2: X=0.02786000 Y=0.35699000 Z=0.17678000
      -2: X=0.97214000 Y=0.64301000 Z=0.82322000
      -2: X=0.52786000 Y=0.67678000 Z=0.85699000
      -2: X=0.47214000 Y=0.32322000 Z=0.14301000
      -2: X=0.67678000 Y=0.85699000 Z=0.52786000
      -2: X=0.32322000 Y=0.14301000 Z=0.47214000
Mo         NPT=  781  R0=.000010000 RMT= 2.42        Z:  42.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -3: X=0.94283000 Y=0.55717000 Z=0.25000000
          MULT= 6          ISPLIT= 8
      -3: X=0.05717000 Y=0.44283000 Z=0.75000000
      -3: X=0.55717000 Y=0.25000000 Z=0.94283000
      -3: X=0.44283000 Y=0.75000000 Z=0.05717000
      -3: X=0.25000000 Y=0.94283000 Z=0.55717000
      -3: X=0.75000000 Y=0.05717000 Z=0.44283000
S          NPT=  781  R0=.000100000 RMT= 2.08        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=0.21617000 Y=0.48572000 Z=0.87477000
          MULT=12          ISPLIT= 8
      -4: X=0.78383000 Y=0.51428000 Z=0.12523000
      -4: X=0.48572000 Y=0.87477000 Z=0.21617000
      -4: X=0.51428000 Y=0.12523000 Z=0.78383000
      -4: X=0.71617000 Y=0.37477000 Z=0.98572000
      -4: X=0.28383000 Y=0.62523000 Z=0.01428000
      -4: X=0.87477000 Y=0.21617000 Z=0.48572000
      -4: X=0.12523000 Y=0.78383000 Z=0.51428000
      -4: X=0.37477000 Y=0.98572000 Z=0.71617000
      -4: X=0.62523000 Y=0.01428000 Z=0.28383000
      -4: X=0.98572000 Y=0.71617000 Z=0.37477000
      -4: X=0.01428000 Y=0.28383000 Z=0.62523000
S          NPT=  781  R0=.000100000 RMT= 2.08        Z:  16.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -5: X=0.13603000 Y=0.13603000 Z=0.13603000
          MULT= 4          ISPLIT= 4
      -5: X=0.86397000 Y=0.86397000 Z=0.86397000
      -5: X=0.63603000 Y=0.63603000 Z=0.63603000
      -5: X=0.36397000 Y=0.36397000 Z=0.36397000
S          NPT=  781  R0=.000100000 RMT= 2.08        Z:  16.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -6: X=0.05303000 Y=0.05303000 Z=0.05303000
          MULT= 4          ISPLIT= 4
      -6: X=0.94697000 Y=0.94697000 Z=0.94697000
      -6: X=0.55303000 Y=0.55303000 Z=0.55303000
      -6: X=0.44697000 Y=0.44697000 Z=0.44697000
K          NPT=  781  R0=.000050000 RMT= 2.50000     Z:  19.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000