R   LATTICE,NONEQUIV.ATOMS   4  148 R-3                                        
MODE OF CALC=RELA unit=bohr                                                    
 11.701563 11.701563 28.594013 90.000000 90.000000120.000000                   
ATOM  -1: X=0.25070000 Y=0.25070000 Z=0.25070000
          MULT= 2          ISPLIT= 4
      -1: X=0.74930000 Y=0.74930000 Z=0.74930000
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=0.00000000 Y=0.00000000 Z=0.00000000
          MULT= 1          ISPLIT= 4
Bi         NPT=  781  R0=.000005000 RMT= 2.25        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=0.50000000 Y=0.50000000 Z=0.50000000
          MULT= 1          ISPLIT= 4
Bi         NPT=  781  R0=.000005000 RMT= 2.25        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=0.21600000 Y=0.28000000 Z=0.76500000
          MULT= 6          ISPLIT= 8
      -4: X=0.78400000 Y=0.72000000 Z=0.23500000
      -4: X=0.28000000 Y=0.76500000 Z=0.21600000
      -4: X=0.72000000 Y=0.23500000 Z=0.78400000
      -4: X=0.76500000 Y=0.21600000 Z=0.28000000
      -4: X=0.23500000 Y=0.78400000 Z=0.72000000
O          NPT=  781  R0=.000100000 RMT= 1.84        Z:   8.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000