R   LATTICE,NONEQUIV.ATOMS   4  148 R-3                                        
MODE OF CALC=RELA unit=bohr                                                    
 11.477818 11.477818 27.943945 90.000000 90.000000120.000000                   
ATOM  -1: X=0.24960000 Y=0.24960000 Z=0.24960000
          MULT= 2          ISPLIT= 4
      -1: X=0.75040000 Y=0.75040000 Z=0.75040000
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= 2.42        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
Ta         NPT=  781  R0=.000005000 RMT= 2.00        Z:  73.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -4: X=0.20000000 Y=0.25800000 Z=0.80600000
          MULT= 6          ISPLIT= 8
      -4: X=0.80000000 Y=0.74200000 Z=0.19400000
      -4: X=0.25800000 Y=0.80600000 Z=0.20000000
      -4: X=0.74200000 Y=0.19400000 Z=0.80000000
      -4: X=0.80600000 Y=0.20000000 Z=0.25800000
      -4: X=0.19400000 Y=0.80000000 Z=0.74200000
O          NPT=  781  R0=.000100000 RMT= 1.72        Z:   8.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000