CXY LATTICE,NONEQUIV.ATOMS   6   20 C2221                                      
MODE OF CALC=RELA unit=bohr                                                    
 12.950293 13.090133 11.574573 90.000000 90.000000 90.000000                   
ATOM  -1: X=0.03150000 Y=0.31400000 Z=0.03390000
          MULT= 4          ISPLIT= 8
      -1: X=0.96850000 Y=0.68600000 Z=0.53390000
      -1: X=0.03150000 Y=0.68600000 Z=0.96610000
      -1: X=0.96850000 Y=0.31400000 Z=0.46610000
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  -2: X=0.18770000 Y=0.03560000 Z=0.28080000
          MULT= 4          ISPLIT= 8
      -2: X=0.81230000 Y=0.96440000 Z=0.78080000
      -2: X=0.18770000 Y=0.96440000 Z=0.71920000
      -2: X=0.81230000 Y=0.03560000 Z=0.21920000
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  -3: X=0.00000000 Y=0.18050000 Z=0.25000000
          MULT= 2          ISPLIT= 8
      -3: X=0.00000000 Y=0.81950000 Z=0.75000000
Si         NPT=  781  R0=.000100000 RMT= 1.42        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  -4: X=0.31670000 Y=0.00000000 Z=0.00000000
          MULT= 2          ISPLIT= 8
      -4: X=0.68330000 Y=0.00000000 Z=0.50000000
Li         NPT=  781  R0=.000100000 RMT= 1.62        Z:   3.00000              
LOCAL ROT MATRIX:    0.0000000 0.0000000 1.0000000
                     1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
ATOM  -5: X=0.68130000 Y=0.00000000 Z=0.00000000
          MULT= 2          ISPLIT= 8
      -5: X=0.31870000 Y=0.00000000 Z=0.50000000
Be         NPT=  781  R0=.000100000 RMT= 1.42        Z:   4.00000              
LOCAL ROT MATRIX:    0.0000000 0.0000000 1.0000000
                     1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
ATOM  -6: X=0.00000000 Y=0.79900000 Z=0.25000000
          MULT= 2          ISPLIT= 8
      -6: X=0.00000000 Y=0.20100000 Z=0.75000000
Li         NPT=  781  R0=.000100000 RMT= 1.62        Z:   3.00000              
LOCAL ROT MATRIX:    0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
                     1.0000000 0.0000000 0.0000000