CXY LATTICE,NONEQUIV.ATOMS   8   36 Cmc21                                      
MODE OF CALC=RELA unit=bohr                                                    
 48.441240 10.520105 10.520105 90.000000 90.000000 90.000000                   
ATOM  -1: X=0.00000000 Y=0.27500000 Z=0.00000000
          MULT= 2          ISPLIT= 8
      -1: X=0.00000000 Y=0.72500000 Z=0.50000000
Ba         NPT=  781  R0=.000010000 RMT= 2.43        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=0.20240000 Y=0.24700000 Z=0.00500000
          MULT= 4          ISPLIT= 8
      -2: X=0.79760000 Y=0.75300000 Z=0.50500000
      -2: X=0.79760000 Y=0.24700000 Z=0.00500000
      -2: X=0.20240000 Y=0.75300000 Z=0.50500000
Bi         NPT=  781  R0=.000005000 RMT= 2.26        Z:  83.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -3: X=0.41120000 Y=0.24600000 Z=0.00900000
          MULT= 4          ISPLIT= 8
      -3: X=0.58880000 Y=0.75400000 Z=0.50900000
      -3: X=0.58880000 Y=0.24600000 Z=0.00900000
      -3: X=0.41120000 Y=0.75400000 Z=0.50900000
Nb         NPT=  781  R0=.000010000 RMT= 1.81        Z:  41.00000              
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=0.23600000 Z=0.53600000
          MULT= 2          ISPLIT= 8
      -4: X=0.00000000 Y=0.76400000 Z=0.03600000
O          NPT=  781  R0=.000100000 RMT= 1.64        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=0.33970000 Y=0.23600000 Z=0.03600000
          MULT= 4          ISPLIT= 8
      -5: X=0.66030000 Y=0.76400000 Z=0.53600000
      -5: X=0.66030000 Y=0.23600000 Z=0.03600000
      -5: X=0.33970000 Y=0.76400000 Z=0.53600000
O          NPT=  781  R0=.000100000 RMT= 1.64        Z:   8.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -6: X=0.25320000 Y=0.00000000 Z=0.28300000
          MULT= 4          ISPLIT= 8
      -6: X=0.74680000 Y=0.00000000 Z=0.78300000
      -6: X=0.74680000 Y=0.00000000 Z=0.28300000
      -6: X=0.25320000 Y=0.00000000 Z=0.78300000
O          NPT=  781  R0=.000100000 RMT= 1.64        Z:   8.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -7: X=0.07850000 Y=0.00100000 Z=0.27700000
          MULT= 4          ISPLIT= 8
      -7: X=0.92150000 Y=0.99900000 Z=0.77700000
      -7: X=0.92150000 Y=0.00100000 Z=0.27700000
      -7: X=0.07850000 Y=0.99900000 Z=0.77700000
O          NPT=  781  R0=.000100000 RMT= 1.64        Z:   8.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -8: X=0.07790000 Y=0.48900000 Z=0.26600000
          MULT= 4          ISPLIT= 8
      -8: X=0.92210000 Y=0.51100000 Z=0.76600000
      -8: X=0.92210000 Y=0.48900000 Z=0.26600000
      -8: X=0.07790000 Y=0.51100000 Z=0.76600000
O          NPT=  781  R0=.000100000 RMT= 1.64        Z:   8.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000