R   LATTICE,NONEQUIV.ATOMS   6  167 R-3c                                       
MODE OF CALC=RELA unit=bohr                                                    
 17.051000 17.051000 41.447363 90.000000 90.000000120.000000                   
ATOM  -1: X=0.14624000 Y=0.14624000 Z=0.14624000
          MULT= 4          ISPLIT= 4
      -1: X=0.85376000 Y=0.85376000 Z=0.85376000
      -1: X=0.64624000 Y=0.64624000 Z=0.64624000
      -1: X=0.35376000 Y=0.35376000 Z=0.35376000
Sn         NPT=  781  R0=.000010000 RMT= 2.03        Z:  50.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -2: X=0.54394000 Y=0.95606000 Z=0.25000000
          MULT= 6          ISPLIT= 8
      -2: X=0.45606000 Y=0.04394000 Z=0.75000000
      -2: X=0.95606000 Y=0.25000000 Z=0.54394000
      -2: X=0.04394000 Y=0.75000000 Z=0.45606000
      -2: X=0.25000000 Y=0.54394000 Z=0.95606000
      -2: X=0.75000000 Y=0.45606000 Z=0.04394000
Si         NPT=  781  R0=.000100000 RMT= 1.39        Z:  14.00000              
LOCAL ROT MATRIX:    0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
                     1.0000000 0.0000000 0.0000000
ATOM  -3: X=0.27014000 Y=0.06557000 Z=0.92160000
          MULT=12          ISPLIT= 8
      -3: X=0.72986000 Y=0.93443000 Z=0.07840000
      -3: X=0.06557000 Y=0.92160000 Z=0.27014000
      -3: X=0.93443000 Y=0.07840000 Z=0.72986000
      -3: X=0.77014000 Y=0.42160000 Z=0.56557000
      -3: X=0.22986000 Y=0.57840000 Z=0.43443000
      -3: X=0.92160000 Y=0.27014000 Z=0.06557000
      -3: X=0.07840000 Y=0.72986000 Z=0.93443000
      -3: X=0.42160000 Y=0.56557000 Z=0.77014000
      -3: X=0.57840000 Y=0.43443000 Z=0.22986000
      -3: X=0.56557000 Y=0.77014000 Z=0.42160000
      -3: X=0.43443000 Y=0.22986000 Z=0.57840000
O          NPT=  781  R0=.000100000 RMT= 1.62        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=0.22006000 Y=0.36918000 Z=0.98301000
          MULT=12          ISPLIT= 8
      -4: X=0.77994000 Y=0.63082000 Z=0.01699000
      -4: X=0.36918000 Y=0.98301000 Z=0.22006000
      -4: X=0.63082000 Y=0.01699000 Z=0.77994000
      -4: X=0.72006000 Y=0.48301000 Z=0.86918000
      -4: X=0.27994000 Y=0.51699000 Z=0.13082000
      -4: X=0.98301000 Y=0.22006000 Z=0.36918000
      -4: X=0.01699000 Y=0.77994000 Z=0.63082000
      -4: X=0.48301000 Y=0.86918000 Z=0.72006000
      -4: X=0.51699000 Y=0.13082000 Z=0.27994000
      -4: X=0.86918000 Y=0.72006000 Z=0.48301000
      -4: X=0.13082000 Y=0.27994000 Z=0.51699000
O          NPT=  781  R0=.000100000 RMT= 1.62        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=0.00000000 Y=0.00000000 Z=0.00000000
          MULT= 2          ISPLIT= 4
      -5: X=0.50000000 Y=0.50000000 Z=0.50000000
Na         NPT=  781  R0=.000100000 RMT= 2.31        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  -6: X=0.88462000 Y=0.61538000 Z=0.25000000
          MULT= 6          ISPLIT= 8
      -6: X=0.11538000 Y=0.38462000 Z=0.75000000
      -6: X=0.61538000 Y=0.25000000 Z=0.88462000
      -6: X=0.38462000 Y=0.75000000 Z=0.11538000
      -6: X=0.25000000 Y=0.88462000 Z=0.61538000
      -6: X=0.75000000 Y=0.11538000 Z=0.38462000
Na         NPT=  781  R0=.000100000 RMT= 2.31        Z:  11.00000              
LOCAL ROT MATRIX:    0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
                     1.0000000 0.0000000 0.0000000