R   LATTICE,NONEQUIV.ATOMS   4  148 R-3                                        
MODE OF CALC=RELA unit=bohr                                                    
 11.511834 11.511834 27.977017 90.000000 90.000000120.000000                   
ATOM  -1: X=0.24980000 Y=0.24980000 Z=0.24980000
          MULT= 2          ISPLIT= 4
      -1: X=0.75020000 Y=0.75020000 Z=0.75020000
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
Sr         NPT=  781  R0=.000010000 RMT= 2.27        Z:  38.00000              
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
W          NPT=  781  R0=.000005000 RMT= 1.96        Z:  74.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -4: X=0.16700000 Y=0.27699000 Z=0.77900000
          MULT= 6          ISPLIT= 8
      -4: X=0.83300000 Y=0.72301000 Z=0.22100000
      -4: X=0.27699000 Y=0.77900000 Z=0.16700000
      -4: X=0.72301000 Y=0.22100000 Z=0.83300000
      -4: X=0.77900000 Y=0.16700000 Z=0.27699000
      -4: X=0.22100000 Y=0.83300000 Z=0.72301000
O          NPT=  781  R0=.000100000 RMT= 1.68        Z:   8.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000