B   LATTICE,NONEQUIV.ATOMS   2   88 I41/a                                      
MODE OF CALC=RELA unit=bohr                                                    
 17.651365 17.651365 10.793549 90.000000 90.000000 90.000000                   
ATOM  -1: X=0.13670000 Y=0.17050000 Z=0.30690000
          MULT= 8          ISPLIT= 8
      -1: X=0.86330000 Y=0.82950000 Z=0.69310000
      -1: X=0.07950000 Y=0.88670000 Z=0.05690000
      -1: X=0.42050000 Y=0.61330000 Z=0.44310000
      -1: X=0.86330000 Y=0.32950000 Z=0.30690000
      -1: X=0.13670000 Y=0.67050000 Z=0.69310000
      -1: X=0.42050000 Y=0.11330000 Z=0.55690000
      -1: X=0.07950000 Y=0.38670000 Z=0.94310000
Li         NPT=  781  R0=.000100000 RMT= 2.40        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  -2: X=0.38890000 Y=0.04650000 Z=0.09360000
          MULT= 8          ISPLIT= 8
      -2: X=0.61110000 Y=0.95350000 Z=0.90640000
      -2: X=0.20350000 Y=0.13890000 Z=0.84360000
      -2: X=0.29650000 Y=0.36110000 Z=0.65640000
      -2: X=0.61110000 Y=0.45350000 Z=0.09360000
      -2: X=0.38890000 Y=0.54650000 Z=0.90640000
      -2: X=0.29650000 Y=0.86110000 Z=0.34360000
      -2: X=0.20350000 Y=0.63890000 Z=0.15640000
Si         NPT=  781  R0=.000100000 RMT= 2.26        Z:  14.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000