R   LATTICE,NONEQUIV.ATOMS   5  166 R-3m                                       
MODE OF CALC=RELA unit=bohr                                                    
 10.898429 10.898429 39.992274 90.000000 90.000000120.000000                   
ATOM  -1: X=0.00000000 Y=0.00000000 Z=0.00000000
          MULT= 1          ISPLIT= 4
Ba         NPT=  781  R0=.000010000 RMT= 2.41        Z:  56.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -2: X=0.20584000 Y=0.20584000 Z=0.20584000
          MULT= 2          ISPLIT= 4
      -2: X=0.79416000 Y=0.79416000 Z=0.79416000
Ba         NPT=  781  R0=.000010000 RMT= 2.41        Z:  56.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -3: X=0.40690000 Y=0.40690000 Z=0.40690000
          MULT= 2          ISPLIT= 4
      -3: X=0.59310000 Y=0.59310000 Z=0.59310000
As         NPT=  781  R0=.000050000 RMT= 1.67        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=0.72530000 Y=0.24639000 Z=0.72530000
          MULT= 6          ISPLIT= 8
      -4: X=0.27470000 Y=0.75361000 Z=0.27470000
      -4: X=0.24639000 Y=0.72530000 Z=0.72530000
      -4: X=0.75361000 Y=0.27470000 Z=0.27470000
      -4: X=0.72530000 Y=0.72530000 Z=0.24639000
      -4: X=0.27470000 Y=0.27470000 Z=0.75361000
O          NPT=  781  R0=.000100000 RMT= 1.51        Z:   8.00000              
LOCAL ROT MATRIX:    0.0000000-0.5000000 0.8660254
                     0.0000000-0.8660254-0.5000000
                     1.0000000 0.0000000 0.0000000
ATOM  -5: X=0.32693000 Y=0.32693000 Z=0.32693000
          MULT= 2          ISPLIT= 4
      -5: X=0.67307000 Y=0.67307000 Z=0.67307000
O          NPT=  781  R0=.000100000 RMT= 1.51        Z:   8.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000