CXZ LATTICE,NONEQUIV.ATOMS   9   12 B2/m                                       
MODE OF CALC=RELA unit=bohr                                                    
 22.795766 29.509963  8.728645 90.000000 90.000000 85.050000                   
ATOM  -1: X=0.55888000 Y=0.13477000 Z=0.00000000
          MULT= 2          ISPLIT= 8
      -1: X=0.44112000 Y=0.86523000 Z=0.00000000
Ba         NPT=  781  R0=.000010000 RMT= 2.50000     Z:  56.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -2: X=0.65740000 Y=0.40984000 Z=0.00000000
          MULT= 2          ISPLIT= 8
      -2: X=0.34260000 Y=0.59016000 Z=0.00000000
Ba         NPT=  781  R0=.000010000 RMT= 2.50000     Z:  56.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -3: X=0.78010000 Y=0.75430000 Z=0.00000000
          MULT= 2          ISPLIT= 8
      -3: X=0.21990000 Y=0.24570000 Z=0.00000000
Si         NPT=  781  R0=.000100000 RMT= 2.25        Z:  14.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -4: X=0.93900000 Y=0.44327000 Z=0.00000000
          MULT= 2          ISPLIT= 8
      -4: X=0.06100000 Y=0.55673000 Z=0.00000000
Si         NPT=  781  R0=.000100000 RMT= 2.25        Z:  14.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -5: X=0.90110000 Y=0.03013000 Z=0.00000000
          MULT= 2          ISPLIT= 8
      -5: X=0.09890000 Y=0.96987000 Z=0.00000000
Si         NPT=  781  R0=.000100000 RMT= 2.25        Z:  14.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -6: X=0.97660000 Y=0.70455000 Z=0.00000000
          MULT= 2          ISPLIT= 8
      -6: X=0.02340000 Y=0.29545000 Z=0.00000000
Si         NPT=  781  R0=.000100000 RMT= 2.25        Z:  14.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -7: X=0.28050000 Y=0.06900000 Z=0.00000000
          MULT= 2          ISPLIT= 8
      -7: X=0.71950000 Y=0.93100000 Z=0.00000000
Mg         NPT=  781  R0=.000100000 RMT= 2.50000     Z:  12.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -8: X=0.39340000 Y=0.34602000 Z=0.00000000
          MULT= 2          ISPLIT= 8
      -8: X=0.60660000 Y=0.65398000 Z=0.00000000
Mg         NPT=  781  R0=.000100000 RMT= 2.50000     Z:  12.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -9: X=0.83740000 Y=0.20550000 Z=0.00000000
          MULT= 2          ISPLIT= 8
      -9: X=0.16260000 Y=0.79450000 Z=0.00000000
Mg         NPT=  781  R0=.000100000 RMT= 2.50000     Z:  12.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000