R   LATTICE,NONEQUIV.ATOMS   4  166 R-3m                                       
MODE OF CALC=RELA unit=bohr                                                    
 10.734967 10.734967 48.754933 90.000000 90.000000120.000000                   
ATOM  -1: X=0.20833000 Y=0.20833000 Z=0.20833000
          MULT= 2          ISPLIT= 4
      -1: X=0.79167000 Y=0.79167000 Z=0.79167000
K          NPT=  781  R0=.000050000 RMT= 2.50000     Z:  19.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -2: X=0.37615000 Y=0.37615000 Z=0.37615000
          MULT= 2          ISPLIT= 4
      -2: X=0.62385000 Y=0.62385000 Z=0.62385000
K          NPT=  781  R0=.000050000 RMT= 2.50000     Z:  19.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -3: X=0.07985000 Y=0.07985000 Z=0.07985000
          MULT= 2          ISPLIT= 4
      -3: X=0.92015000 Y=0.92015000 Z=0.92015000
As         NPT=  781  R0=.000050000 RMT= 2.18        Z:  33.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -4: X=0.00000000 Y=0.00000000 Z=0.00000000
          MULT= 1          ISPLIT= 4
Be         NPT=  781  R0=.000100000 RMT= 1.69        Z:   4.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000