R   LATTICE,NONEQUIV.ATOMS   3  166 R-3m                                       
MODE OF CALC=RELA unit=bohr                                                    
 13.893267 13.893267 13.672167 90.000000 90.000000120.000000                   
ATOM  -1: X=0.00000000 Y=0.00000000 Z=0.00000000
          MULT= 1          ISPLIT= 4
As         NPT=  781  R0=.000050000 RMT= 1.74        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  -2: X=0.50000000 Y=0.50000000 Z=0.50000000
          MULT= 1          ISPLIT= 4
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=0.73500000 Y=0.07399000 Z=0.73500000
          MULT= 6          ISPLIT= 8
      -3: X=0.26500000 Y=0.92601000 Z=0.26500000
      -3: X=0.07399000 Y=0.73500000 Z=0.73500000
      -3: X=0.92601000 Y=0.26500000 Z=0.26500000
      -3: X=0.73500000 Y=0.73500000 Z=0.07399000
      -3: X=0.26500000 Y=0.26500000 Z=0.92601000
F          NPT=  781  R0=.000100000 RMT= 1.66        Z:   9.00000              
LOCAL ROT MATRIX:    0.0000000-0.5000000 0.8660254
                     0.0000000-0.8660254-0.5000000
                     1.0000000 0.0000000 0.0000000