R   LATTICE,NONEQUIV.ATOMS   6  167 R-3c                                       
MODE OF CALC=RELA unit=bohr                                                    
 17.359592 17.359592 41.916015 90.000000 90.000000120.000000                   
ATOM  -1: X=0.14719000 Y=0.14719000 Z=0.14719000
          MULT= 4          ISPLIT= 4
      -1: X=0.85281000 Y=0.85281000 Z=0.85281000
      -1: X=0.64719000 Y=0.64719000 Z=0.64719000
      -1: X=0.35281000 Y=0.35281000 Z=0.35281000
Zr         NPT=  781  R0=.000010000 RMT= 1.85        Z:  40.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -2: X=0.00000000 Y=0.00000000 Z=0.00000000
          MULT= 2          ISPLIT= 4
      -2: X=0.50000000 Y=0.50000000 Z=0.50000000
Na         NPT=  781  R0=.000100000 RMT= 2.36        Z:  11.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -3: X=0.88967000 Y=0.61033000 Z=0.25000000
          MULT= 6          ISPLIT= 8
      -3: X=0.11033000 Y=0.38967000 Z=0.75000000
      -3: X=0.61033000 Y=0.25000000 Z=0.88967000
      -3: X=0.38967000 Y=0.75000000 Z=0.11033000
      -3: X=0.25000000 Y=0.88967000 Z=0.61033000
      -3: X=0.75000000 Y=0.11033000 Z=0.38967000
Na         NPT=  781  R0=.000100000 RMT= 2.36        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  -4: X=0.27186000 Y=0.06769000 Z=0.92001000
          MULT=12          ISPLIT= 8
      -4: X=0.72814000 Y=0.93231000 Z=0.07999000
      -4: X=0.06769000 Y=0.92001000 Z=0.27186000
      -4: X=0.93231000 Y=0.07999000 Z=0.72814000
      -4: X=0.77186000 Y=0.42001000 Z=0.56769000
      -4: X=0.22814000 Y=0.57999000 Z=0.43231000
      -4: X=0.92001000 Y=0.27186000 Z=0.06769000
      -4: X=0.07999000 Y=0.72814000 Z=0.93231000
      -4: X=0.42001000 Y=0.56769000 Z=0.77186000
      -4: X=0.57999000 Y=0.43231000 Z=0.22814000
      -4: X=0.56769000 Y=0.77186000 Z=0.42001000
      -4: X=0.43231000 Y=0.22814000 Z=0.57999000
O          NPT=  781  R0=.000100000 RMT= 1.64        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=0.37413000 Y=0.03087000 Z=0.17097000
          MULT=12          ISPLIT= 8
      -5: X=0.62587000 Y=0.96913000 Z=0.82903000
      -5: X=0.03087000 Y=0.17097000 Z=0.37413000
      -5: X=0.96913000 Y=0.82903000 Z=0.62587000
      -5: X=0.87413000 Y=0.67097000 Z=0.53087000
      -5: X=0.12587000 Y=0.32903000 Z=0.46913000
      -5: X=0.17097000 Y=0.37413000 Z=0.03087000
      -5: X=0.82903000 Y=0.62587000 Z=0.96913000
      -5: X=0.67097000 Y=0.53087000 Z=0.87413000
      -5: X=0.32903000 Y=0.46913000 Z=0.12587000
      -5: X=0.53087000 Y=0.87413000 Z=0.67097000
      -5: X=0.46913000 Y=0.12587000 Z=0.32903000
O          NPT=  781  R0=.000100000 RMT= 1.64        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  -6: X=0.54544000 Y=0.95456000 Z=0.25000000
          MULT= 6          ISPLIT= 8
      -6: X=0.45456000 Y=0.04544000 Z=0.75000000
      -6: X=0.95456000 Y=0.25000000 Z=0.54544000
      -6: X=0.04544000 Y=0.75000000 Z=0.45456000
      -6: X=0.25000000 Y=0.54544000 Z=0.95456000
      -6: X=0.75000000 Y=0.45456000 Z=0.04544000
Si         NPT=  781  R0=.000100000 RMT= 1.41        Z:  14.00000              
LOCAL ROT MATRIX:    0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
                     1.0000000 0.0000000 0.0000000