CXY LATTICE,NONEQUIV.ATOMS   6   36 Cmc21                                      
MODE OF CALC=RELA unit=bohr                                                    
  7.469709 26.262091 11.008033 90.000000 90.000000 90.000000                   
ATOM  -1: X=0.00000000 Y=0.13150000 Z=0.00410000
          MULT= 2          ISPLIT= 8
      -1: X=0.00000000 Y=0.86850000 Z=0.50410000
Ba         NPT=  781  R0=.000010000 RMT= 2.50        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=0.39850000 Z=0.00380000
          MULT= 2          ISPLIT= 8
      -2: X=0.00000000 Y=0.60150000 Z=0.50380000
W          NPT=  781  R0=.000005000 RMT= 1.82        Z:  74.00000              
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=0.68960000 Z=0.27600000
          MULT= 2          ISPLIT= 8
      -3: X=0.00000000 Y=0.31040000 Z=0.77600000
O          NPT=  781  R0=.000100000 RMT= 1.57        Z:   8.00000              
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=0.31060000 Z=0.23190000
          MULT= 2          ISPLIT= 8
      -4: X=0.00000000 Y=0.68940000 Z=0.73190000
O          NPT=  781  R0=.000100000 RMT= 1.57        Z:   8.00000              
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=0.50020000 Z=0.25300000
          MULT= 2          ISPLIT= 8
      -5: X=0.00000000 Y=0.49980000 Z=0.75300000
O          NPT=  781  R0=.000100000 RMT= 1.57        Z:   8.00000              
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=0.08620000 Z=0.54350000
          MULT= 2          ISPLIT= 8
      -6: X=0.00000000 Y=0.91380000 Z=0.04350000
O          NPT=  781  R0=.000100000 RMT= 1.57        Z:   8.00000              
LOCAL ROT MATRIX:    0.0000000 0.0000000 1.0000000
                     1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000