CXZ LATTICE,NONEQUIV.ATOMS   3   12 B2/m                                       
MODE OF CALC=RELA unit=bohr                                                    
 19.203397 11.366703 14.664275 90.000000 90.000000 66.450000                   
ATOM  -1: X=0.66370000 Y=0.16300000 Z=0.00000000
          MULT= 2          ISPLIT= 8
      -1: X=0.33630000 Y=0.83700000 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=0.99580000 Y=0.29690000 Z=0.00000000
          MULT= 2          ISPLIT= 8
      -2: X=0.00420000 Y=0.70310000 Z=0.00000000
As         NPT=  781  R0=.000050000 RMT= 2.30        Z:  33.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -3: X=0.86140000 Y=0.31650000 Z=0.26580000
          MULT= 4          ISPLIT= 8
      -3: X=0.13860000 Y=0.68350000 Z=0.73420000
      -3: X=0.13860000 Y=0.68350000 Z=0.26580000
      -3: X=0.86140000 Y=0.31650000 Z=0.73420000
As         NPT=  781  R0=.000050000 RMT= 2.30        Z:  33.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000