R   LATTICE,NONEQUIV.ATOMS   4  166 R-3m                                       
MODE OF CALC=RELA unit=bohr                                                    
  8.186294  8.186294 76.741779 90.000000 90.000000120.000000                   
ATOM  -1: X=0.41700000 Y=0.41700000 Z=0.41700000
          MULT= 2          ISPLIT= 4
      -1: X=0.58300000 Y=0.58300000 Z=0.58300000
Se         NPT=  781  R0=.000050000 RMT= 2.50000     Z:  34.00000              
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
Se         NPT=  781  R0=.000050000 RMT= 2.50000     Z:  34.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -3: X=0.14400000 Y=0.14400000 Z=0.14400000
          MULT= 2          ISPLIT= 4
      -3: X=0.85600000 Y=0.85600000 Z=0.85600000
Bi         NPT=  781  R0=.000005000 RMT= 2.50000     Z:  83.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -4: X=0.28700000 Y=0.28700000 Z=0.28700000
          MULT= 2          ISPLIT= 4
      -4: X=0.71300000 Y=0.71300000 Z=0.71300000
Bi         NPT=  781  R0=.000005000 RMT= 2.50000     Z:  83.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000