CXZ LATTICE,NONEQUIV.ATOMS   3   12 B2/m                                       
MODE OF CALC=RELA unit=bohr                                                    
 20.422270 12.228418 16.098577 90.000000 90.000000 67.340000                   
ATOM  -1: X=0.83640000 Y=0.32200000 Z=0.00000000
          MULT= 2          ISPLIT= 8
      -1: X=0.16360000 Y=0.67800000 Z=0.00000000
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=0.48720000 Y=0.22710000 Z=0.00000000
          MULT= 2          ISPLIT= 8
      -2: X=0.51280000 Y=0.77290000 Z=0.00000000
Sb         NPT=  781  R0=.000010000 RMT= 2.50000     Z:  51.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -3: X=0.63770000 Y=0.20220000 Z=0.27900000
          MULT= 4          ISPLIT= 8
      -3: X=0.36230000 Y=0.79780000 Z=0.72100000
      -3: X=0.36230000 Y=0.79780000 Z=0.27900000
      -3: X=0.63770000 Y=0.20220000 Z=0.72100000
Sb         NPT=  781  R0=.000010000 RMT= 2.50000     Z:  51.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000