CXZ LATTICE,NONEQUIV.ATOMS   6   15 B2/b                                       
MODE OF CALC=RELA unit=bohr                                                    
 18.763091 10.024997 17.364693 90.000000 90.000000 70.200000                   
ATOM  -1: X=0.00000000 Y=0.25000000 Z=0.41667000
          MULT= 2          ISPLIT= 8
      -1: X=0.00000000 Y=0.75000000 Z=0.58333000
Sc         NPT=  781  R0=.000050000 RMT= 2.14        Z:  21.00000              
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=0.25000000 Z=0.75000000
          MULT= 2          ISPLIT= 8
      -2: X=0.00000000 Y=0.75000000 Z=0.25000000
Na         NPT=  781  R0=.000100000 RMT= 2.03        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=0.80810000 Y=0.22100000 Z=0.08333000
          MULT= 4          ISPLIT= 8
      -3: X=0.19190000 Y=0.77900000 Z=0.91667000
      -3: X=0.19190000 Y=0.27900000 Z=0.08333000
      -3: X=0.80810000 Y=0.72100000 Z=0.91667000
Si         NPT=  781  R0=.000100000 RMT= 1.41        Z:  14.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -4: X=0.63390000 Y=0.33170000 Z=0.08333000
          MULT= 4          ISPLIT= 8
      -4: X=0.36610000 Y=0.66830000 Z=0.91667000
      -4: X=0.36610000 Y=0.16830000 Z=0.08333000
      -4: X=0.63390000 Y=0.83170000 Z=0.91667000
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=0.86610000 Y=0.16830000 Z=0.25000000
          MULT= 4          ISPLIT= 8
      -5: X=0.13390000 Y=0.83170000 Z=0.75000000
      -5: X=0.13390000 Y=0.33170000 Z=0.25000000
      -5: X=0.86610000 Y=0.66830000 Z=0.75000000
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=0.86610000 Y=0.44210000 Z=0.00790000
          MULT= 4          ISPLIT= 8
      -6: X=0.13390000 Y=0.55790000 Z=0.99210000
      -6: X=0.13390000 Y=0.05790000 Z=0.00790000
      -6: X=0.86610000 Y=0.94210000 Z=0.99210000
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