CXY LATTICE,NONEQUIV.ATOMS   5   63 Cmcm                                       
MODE OF CALC=RELA unit=bohr                                                    
 20.985409 17.007535 21.178161 90.000000 90.000000 90.000000                   
ATOM  -1: X=0.00000000 Y=0.64926000 Z=0.25000000
          MULT= 2          ISPLIT= 8
      -1: X=0.00000000 Y=0.35074000 Z=0.75000000
Ba         NPT=  781  R0=.000010000 RMT= 2.50000     Z:  56.00000              
LOCAL ROT MATRIX:    0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
                     1.0000000 0.0000000 0.0000000
ATOM  -2: X=0.20626000 Y=0.00000000 Z=0.00000000
          MULT= 4          ISPLIT= 8
      -2: X=0.79374000 Y=0.00000000 Z=0.00000000
      -2: X=0.20626000 Y=0.00000000 Z=0.50000000
      -2: X=0.79374000 Y=0.00000000 Z=0.50000000
Ba         NPT=  781  R0=.000010000 RMT= 2.50000     Z:  56.00000              
LOCAL ROT MATRIX:    0.0000000 0.0000000 1.0000000
                     1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
ATOM  -3: X=0.19157000 Y=0.28617000 Z=0.25000000
          MULT= 4          ISPLIT= 8
      -3: X=0.80843000 Y=0.71383000 Z=0.75000000
      -3: X=0.80843000 Y=0.28617000 Z=0.25000000
      -3: X=0.19157000 Y=0.71383000 Z=0.75000000
Sn         NPT=  781  R0=.000010000 RMT= 2.50000     Z:  50.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -4: X=0.00000000 Y=0.04695000 Z=0.25000000
          MULT= 2          ISPLIT= 8
      -4: X=0.00000000 Y=0.95305000 Z=0.75000000
Sn         NPT=  781  R0=.000010000 RMT= 2.50000     Z:  50.00000              
LOCAL ROT MATRIX:    0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
                     1.0000000 0.0000000 0.0000000
ATOM  -5: X=0.00000000 Y=0.30591000 Z=0.06364000
          MULT= 4          ISPLIT= 8
      -5: X=0.00000000 Y=0.69409000 Z=0.93636000
      -5: X=0.00000000 Y=0.30591000 Z=0.43636000
      -5: X=0.00000000 Y=0.69409000 Z=0.56364000
Sn         NPT=  781  R0=.000010000 RMT= 2.50000     Z:  50.00000              
LOCAL ROT MATRIX:    0.0000000 0.0000000 1.0000000
                     1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000