CXY LATTICE,NONEQUIV.ATOMS   9   36 Cmc21                                      
MODE OF CALC=RELA unit=bohr                                                    
  8.037950 34.491281 23.971176 90.000000 90.000000 90.000000                   
ATOM  -1: X=0.00000000 Y=0.11174000 Z=0.68606000
          MULT= 2          ISPLIT= 8
      -1: X=0.00000000 Y=0.88826000 Z=0.18606000
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  -2: X=0.00000000 Y=0.12944000 Z=0.30930000
          MULT= 2          ISPLIT= 8
      -2: X=0.00000000 Y=0.87056000 Z=0.80930000
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=0.00000000 Y=0.21783000 Z=0.02198000
          MULT= 2          ISPLIT= 8
      -3: X=0.00000000 Y=0.78217000 Z=0.52198000
Bi         NPT=  781  R0=.000005000 RMT= 2.50000     Z:  83.00000              
LOCAL ROT MATRIX:    0.0000000 0.0000000 1.0000000
                     1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
ATOM  -4: X=0.00000000 Y=0.44496000 Z=0.44863000
          MULT= 2          ISPLIT= 8
      -4: X=0.00000000 Y=0.55504000 Z=0.94863000
In         NPT=  781  R0=.000010000 RMT= 2.50000     Z:  49.00000              
LOCAL ROT MATRIX:    0.0000000 0.0000000 1.0000000
                     1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
ATOM  -5: X=0.00000000 Y=0.04300000 Z=0.05090000
          MULT= 2          ISPLIT= 8
      -5: X=0.00000000 Y=0.95700000 Z=0.55090000
S          NPT=  781  R0=.000100000 RMT= 2.07        Z:  16.00000              
LOCAL ROT MATRIX:    0.0000000 0.0000000 1.0000000
                     1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
ATOM  -6: X=0.00000000 Y=0.28430000 Z=0.66480000
          MULT= 2          ISPLIT= 8
      -6: X=0.00000000 Y=0.71570000 Z=0.16480000
S          NPT=  781  R0=.000100000 RMT= 2.07        Z:  16.00000              
LOCAL ROT MATRIX:    0.0000000 0.0000000 1.0000000
                     1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
ATOM  -7: X=0.00000000 Y=0.31560000 Z=0.36700000
          MULT= 2          ISPLIT= 8
      -7: X=0.00000000 Y=0.68440000 Z=0.86700000
S          NPT=  781  R0=.000100000 RMT= 2.07        Z:  16.00000              
LOCAL ROT MATRIX:    0.0000000 0.0000000 1.0000000
                     1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
ATOM  -8: X=0.00000000 Y=0.35850000 Z=0.00000000
          MULT= 2          ISPLIT= 8
      -8: X=0.00000000 Y=0.64150000 Z=0.50000000
S          NPT=  781  R0=.000100000 RMT= 2.07        Z:  16.00000              
LOCAL ROT MATRIX:    0.0000000 0.0000000 1.0000000
                     1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
ATOM  -9: X=0.00000000 Y=0.50390000 Z=0.27530000
          MULT= 2          ISPLIT= 8
      -9: X=0.00000000 Y=0.49610000 Z=0.77530000
S          NPT=  781  R0=.000100000 RMT= 2.07        Z:  16.00000              
LOCAL ROT MATRIX:    0.0000000 0.0000000 1.0000000
                     1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000