R   LATTICE,NONEQUIV.ATOMS   4  148 R-3                                        
MODE OF CALC=RELA unit=bohr                                                    
 10.962113 10.962113 26.871527 90.000000 90.000000120.000000                   
ATOM  -1: X=0.24420000 Y=0.24420000 Z=0.24420000
          MULT= 2          ISPLIT= 4
      -1: X=0.75580000 Y=0.75580000 Z=0.75580000
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
Ti         NPT=  781  R0=.000050000 RMT= 1.82        Z:  22.00000              
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
Zr         NPT=  781  R0=.000010000 RMT= 2.22        Z:  40.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -4: X=0.22550000 Y=0.22551000 Z=0.77450000
          MULT= 6          ISPLIT= 8
      -4: X=0.77450000 Y=0.77449000 Z=0.22550000
      -4: X=0.22551000 Y=0.77450000 Z=0.22550000
      -4: X=0.77449000 Y=0.22550000 Z=0.77450000
      -4: X=0.77450000 Y=0.22550000 Z=0.22551000
      -4: X=0.22550000 Y=0.77450000 Z=0.77449000
O          NPT=  781  R0=.000100000 RMT= 1.65        Z:   8.00000              
LOCAL ROT MATRIX:    0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
                     1.0000000 0.0000000 0.0000000