CXZ LATTICE,NONEQUIV.ATOMS  12   12 B2/m                                       
MODE OF CALC=RELA unit=bohr                                                    
 19.998972 20.633920 11.729530 90.000000 90.000000 89.440000                   
ATOM  -1: X=0.82540000 Y=0.69920000 Z=0.00000000
          MULT= 2          ISPLIT= 8
      -1: X=0.17460000 Y=0.30080000 Z=0.00000000
Hg         NPT=  781  R0=.000005000 RMT= 2.10        Z:  80.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -2: X=0.00000000 Y=0.00000000 Z=0.00000000
          MULT= 1          ISPLIT= 8
Hg         NPT=  781  R0=.000005000 RMT= 2.10        Z:  80.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -3: X=0.50320000 Y=0.20550000 Z=0.00000000
          MULT= 2          ISPLIT= 8
      -3: X=0.49680000 Y=0.79450000 Z=0.00000000
Ba         NPT=  781  R0=.000010000 RMT= 2.45        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  -4: X=0.83260000 Y=0.27920000 Z=0.00000000
          MULT= 2          ISPLIT= 8
      -4: X=0.16740000 Y=0.72080000 Z=0.00000000
Pd         NPT=  781  R0=.000010000 RMT= 1.99        Z:  46.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -5: X=0.00000000 Y=0.50000000 Z=0.00000000
          MULT= 1          ISPLIT= 8
Pd         NPT=  781  R0=.000010000 RMT= 1.99        Z:  46.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -6: X=0.75000000 Y=0.50000000 Z=0.25000000
          MULT= 2          ISPLIT= 8
      -6: X=0.25000000 Y=0.50000000 Z=0.25000000
Pd         NPT=  781  R0=.000010000 RMT= 1.99        Z:  46.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -7: X=0.75000000 Y=0.00000000 Z=0.25000000
          MULT= 2          ISPLIT= 8
      -7: X=0.25000000 Y=0.00000000 Z=0.25000000
Pd         NPT=  781  R0=.000010000 RMT= 1.99        Z:  46.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -8: X=0.68200000 Y=0.40000000 Z=0.00000000
          MULT= 2          ISPLIT= 8
      -8: X=0.31800000 Y=0.60000000 Z=0.00000000
O          NPT=  781  R0=.000100000 RMT= 1.71        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  -9: X=0.00000000 Y=0.18600000 Z=0.00000000
          MULT= 2          ISPLIT= 8
      -9: X=0.00000000 Y=0.81400000 Z=0.00000000
O          NPT=  781  R0=.000100000 RMT= 1.71        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 -10: X=0.36800000 Y=0.00700000 Z=0.00000000
          MULT= 2          ISPLIT= 8
     -10: X=0.63200000 Y=0.99300000 Z=0.00000000
O          NPT=  781  R0=.000100000 RMT= 1.71        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 -11: X=0.90900000 Y=0.39400000 Z=0.20700000
          MULT= 4          ISPLIT= 8
     -11: X=0.09100000 Y=0.60600000 Z=0.79300000
     -11: X=0.09100000 Y=0.60600000 Z=0.20700000
     -11: X=0.90900000 Y=0.39400000 Z=0.79300000
O          NPT=  781  R0=.000100000 RMT= 1.71        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 -12: X=0.75100000 Y=0.18500000 Z=0.23400000
          MULT= 4          ISPLIT= 8
     -12: X=0.24900000 Y=0.81500000 Z=0.76600000
     -12: X=0.24900000 Y=0.81500000 Z=0.23400000
     -12: X=0.75100000 Y=0.18500000 Z=0.76600000
O          NPT=  781  R0=.000100000 RMT= 1.71        Z:   8.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000