R   LATTICE,NONEQUIV.ATOMS   5  166 R-3m                                       
MODE OF CALC=RELA unit=bohr                                                    
 10.308456 10.308456 38.739384 90.000000 90.000000120.000000                   
ATOM  -1: X=0.20600000 Y=0.20600000 Z=0.20600000
          MULT= 2          ISPLIT= 4
      -1: X=0.79400000 Y=0.79400000 Z=0.79400000
K          NPT=  781  R0=.000050000 RMT= 2.33        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=0.00000000 Y=0.00000000 Z=0.00000000
          MULT= 1          ISPLIT= 4
Pb         NPT=  781  R0=.000005000 RMT= 2.50000     Z:  82.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -3: X=0.40700000 Y=0.40700000 Z=0.40700000
          MULT= 2          ISPLIT= 4
      -3: X=0.59300000 Y=0.59300000 Z=0.59300000
Be         NPT=  781  R0=.000100000 RMT= 1.30        Z:   4.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -4: X=0.33000000 Y=0.33000000 Z=0.33000000
          MULT= 2          ISPLIT= 4
      -4: X=0.67000000 Y=0.67000000 Z=0.67000000
F          NPT=  781  R0=.000100000 RMT= 1.59        Z:   9.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -5: X=0.72300000 Y=0.26101000 Z=0.72300000
          MULT= 6          ISPLIT= 8
      -5: X=0.27700000 Y=0.73899000 Z=0.27700000
      -5: X=0.26101000 Y=0.72300000 Z=0.72300000
      -5: X=0.73899000 Y=0.27700000 Z=0.27700000
      -5: X=0.72300000 Y=0.72300000 Z=0.26101000
      -5: X=0.27700000 Y=0.27700000 Z=0.73899000
F          NPT=  781  R0=.000100000 RMT= 1.59        Z:   9.00000              
LOCAL ROT MATRIX:    0.0000000-0.5000000 0.8660254
                     0.0000000-0.8660254-0.5000000
                     1.0000000 0.0000000 0.0000000