CXZ LATTICE,NONEQUIV.ATOMS   6   15 B2/b                                       
MODE OF CALC=RELA unit=bohr                                                    
 18.591126  9.919172 17.181390 90.000000 90.000000 69.900000                   
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= 2.11        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
Li         NPT=  781  R0=.000100000 RMT= 1.81        Z:   3.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -3: X=0.80800000 Y=0.21810000 Z=0.08333000
          MULT= 4          ISPLIT= 8
      -3: X=0.19200000 Y=0.78190000 Z=0.91667000
      -3: X=0.19200000 Y=0.28190000 Z=0.08333000
      -3: X=0.80800000 Y=0.71810000 Z=0.91667000
Si         NPT=  781  R0=.000100000 RMT= 1.40        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=0.33030000 Z=0.08333000
          MULT= 4          ISPLIT= 8
      -4: X=0.36610000 Y=0.66970000 Z=0.91667000
      -4: X=0.36610000 Y=0.16970000 Z=0.08333000
      -4: X=0.63390000 Y=0.83030000 Z=0.91667000
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=0.86610000 Y=0.16970000 Z=0.25000000
          MULT= 4          ISPLIT= 8
      -5: X=0.13390000 Y=0.83030000 Z=0.75000000
      -5: X=0.13390000 Y=0.33030000 Z=0.25000000
      -5: X=0.86610000 Y=0.66970000 Z=0.75000000
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  -6: X=0.86610000 Y=0.43620000 Z=0.00550000
          MULT= 4          ISPLIT= 8
      -6: X=0.13390000 Y=0.56380000 Z=0.99450000
      -6: X=0.13390000 Y=0.06380000 Z=0.00550000
      -6: X=0.86610000 Y=0.93620000 Z=0.99450000
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