CXZ LATTICE,NONEQUIV.ATOMS  12   12 B2/m                                       
MODE OF CALC=RELA unit=bohr                                                    
 28.119314 17.790827  7.099701 90.000000 90.000000 79.413000                   
ATOM  -1: X=0.52829000 Y=0.18932000 Z=0.00000000
          MULT= 2          ISPLIT= 8
      -1: X=0.47171000 Y=0.81068000 Z=0.00000000
Na         NPT=  781  R0=.000100000 RMT= 2.34        Z:  11.00000              
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=0.50000000 Z=0.50000000
          MULT= 1          ISPLIT= 8
Na         NPT=  781  R0=.000100000 RMT= 2.34        Z:  11.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -3: X=0.88062000 Y=0.09075000 Z=0.00000000
          MULT= 2          ISPLIT= 8
      -3: X=0.11938000 Y=0.90925000 Z=0.00000000
Ti         NPT=  781  R0=.000050000 RMT= 1.62        Z:  22.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -4: X=0.84286000 Y=0.43682000 Z=0.00000000
          MULT= 2          ISPLIT= 8
      -4: X=0.15714000 Y=0.56318000 Z=0.00000000
Ti         NPT=  781  R0=.000050000 RMT= 1.62        Z:  22.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -5: X=0.77659000 Y=0.76000000 Z=0.00000000
          MULT= 2          ISPLIT= 8
      -5: X=0.22341000 Y=0.24000000 Z=0.00000000
Ti         NPT=  781  R0=.000050000 RMT= 1.62        Z:  22.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -6: X=0.73207000 Y=0.27837000 Z=0.00000000
          MULT= 2          ISPLIT= 8
      -6: X=0.26793000 Y=0.72163000 Z=0.00000000
O          NPT=  781  R0=.000100000 RMT= 1.47        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=0.92849000 Y=0.29839000 Z=0.00000000
          MULT= 2          ISPLIT= 8
      -7: X=0.07151000 Y=0.70161000 Z=0.00000000
O          NPT=  781  R0=.000100000 RMT= 1.47        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=0.68373000 Y=0.58370000 Z=0.00000000
          MULT= 2          ISPLIT= 8
      -8: X=0.31627000 Y=0.41630000 Z=0.00000000
O          NPT=  781  R0=.000100000 RMT= 1.47        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=0.88925000 Y=0.63282000 Z=0.00000000
          MULT= 2          ISPLIT= 8
      -9: X=0.11075000 Y=0.36718000 Z=0.00000000
O          NPT=  781  R0=.000100000 RMT= 1.47        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=0.35545000 Y=0.11129000 Z=0.00000000
          MULT= 2          ISPLIT= 8
     -10: X=0.64455000 Y=0.88871000 Z=0.00000000
O          NPT=  781  R0=.000100000 RMT= 1.47        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=0.16508000 Y=0.08531000 Z=0.00000000
          MULT= 2          ISPLIT= 8
     -11: X=0.83492000 Y=0.91469000 Z=0.00000000
O          NPT=  781  R0=.000100000 RMT= 1.47        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=0.00000000 Y=0.00000000 Z=0.00000000
          MULT= 1          ISPLIT= 8
O          NPT=  781  R0=.000100000 RMT= 1.47        Z:   8.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000