CXY LATTICE,NONEQUIV.ATOMS   9   36 Cmc21                                      
MODE OF CALC=RELA unit=bohr                                                    
 12.192513 23.789762 22.538764 90.000000 90.000000 90.000000                   
ATOM  -1: X=0.00000000 Y=0.18770000 Z=0.00000000
          MULT= 2          ISPLIT= 8
      -1: X=0.00000000 Y=0.81230000 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  -2: X=0.00000000 Y=0.38750000 Z=0.39540000
          MULT= 2          ISPLIT= 8
      -2: X=0.00000000 Y=0.61250000 Z=0.89540000
P          NPT=  781  R0=.000100000 RMT= 2.02        Z:  15.00000              
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=0.07080000 Z=0.44200000
          MULT= 2          ISPLIT= 8
      -3: X=0.00000000 Y=0.92920000 Z=0.94200000
P          NPT=  781  R0=.000100000 RMT= 2.02        Z:  15.00000              
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=0.40420000 Z=0.21510000
          MULT= 2          ISPLIT= 8
      -4: X=0.00000000 Y=0.59580000 Z=0.71510000
P          NPT=  781  R0=.000100000 RMT= 2.02        Z:  15.00000              
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=0.19510000 Z=0.57290000
          MULT= 2          ISPLIT= 8
      -5: X=0.00000000 Y=0.80490000 Z=0.07290000
P          NPT=  781  R0=.000100000 RMT= 2.02        Z:  15.00000              
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=0.09400000 Z=0.72340000
          MULT= 2          ISPLIT= 8
      -6: X=0.00000000 Y=0.90600000 Z=0.22340000
P          NPT=  781  R0=.000100000 RMT= 2.02        Z:  15.00000              
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=0.55420000 Z=0.43440000
          MULT= 2          ISPLIT= 8
      -7: X=0.00000000 Y=0.44580000 Z=0.93440000
P          NPT=  781  R0=.000100000 RMT= 2.02        Z:  15.00000              
LOCAL ROT MATRIX:    0.0000000 0.0000000 1.0000000
                     1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
ATOM  -8: X=0.25470000 Y=0.12860000 Z=0.33190000
          MULT= 4          ISPLIT= 8
      -8: X=0.74530000 Y=0.87140000 Z=0.83190000
      -8: X=0.74530000 Y=0.12860000 Z=0.33190000
      -8: X=0.25470000 Y=0.87140000 Z=0.83190000
P          NPT=  781  R0=.000100000 RMT= 2.02        Z:  15.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -9: X=0.24880000 Y=0.02100000 Z=0.18180000
          MULT= 4          ISPLIT= 8
      -9: X=0.75120000 Y=0.97900000 Z=0.68180000
      -9: X=0.75120000 Y=0.02100000 Z=0.18180000
      -9: X=0.24880000 Y=0.97900000 Z=0.68180000
P          NPT=  781  R0=.000100000 RMT= 2.02        Z:  15.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000