R   LATTICE,NONEQUIV.ATOMS   4  148 R-3                                        
MODE OF CALC=RELA unit=bohr                                                    
 11.678130 11.678130 28.431497 90.000000 90.000000120.000000                   
ATOM  -1: X=0.24740000 Y=0.24740000 Z=0.24740000
          MULT= 2          ISPLIT= 4
      -1: X=0.75260000 Y=0.75260000 Z=0.75260000
Ba         NPT=  781  R0=.000010000 RMT= 2.50000     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=0.50000000 Y=0.50000000 Z=0.50000000
          MULT= 1          ISPLIT= 4
Bi         NPT=  781  R0=.000005000 RMT= 2.18        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  -3: X=0.00000000 Y=0.00000000 Z=0.00000000
          MULT= 1          ISPLIT= 4
Bi         NPT=  781  R0=.000005000 RMT= 2.18        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=0.19350000 Y=0.28629000 Z=0.75850000
          MULT= 6          ISPLIT= 8
      -4: X=0.80650000 Y=0.71371000 Z=0.24150000
      -4: X=0.28629000 Y=0.75850000 Z=0.19350000
      -4: X=0.71371000 Y=0.24150000 Z=0.80650000
      -4: X=0.75850000 Y=0.19350000 Z=0.28629000
      -4: X=0.24150000 Y=0.80650000 Z=0.71371000
O          NPT=  781  R0=.000100000 RMT= 1.79        Z:   8.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000