CXZ LATTICE,NONEQUIV.ATOMS  12   15 B2/b                                       
MODE OF CALC=RELA unit=bohr                                                    
 22.642699 28.493291 35.173473 90.000000 90.000000 77.210000                   
ATOM  -1: X=0.90048000 Y=0.42933000 Z=0.35138000
          MULT= 4          ISPLIT= 8
      -1: X=0.09952000 Y=0.57067000 Z=0.64862000
      -1: X=0.09952000 Y=0.07067000 Z=0.35138000
      -1: X=0.90048000 Y=0.92933000 Z=0.64862000
Rb         NPT=  781  R0=.000010000 RMT= 2.50000     Z:  37.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -2: X=0.60476000 Y=0.12803000 Z=0.36288000
          MULT= 4          ISPLIT= 8
      -2: X=0.39524000 Y=0.87197000 Z=0.63712000
      -2: X=0.39524000 Y=0.37197000 Z=0.36288000
      -2: X=0.60476000 Y=0.62803000 Z=0.63712000
Rb         NPT=  781  R0=.000010000 RMT= 2.50000     Z:  37.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -3: X=0.67991000 Y=0.22860000 Z=0.10990000
          MULT= 4          ISPLIT= 8
      -3: X=0.32009000 Y=0.77140000 Z=0.89010000
      -3: X=0.32009000 Y=0.27140000 Z=0.10990000
      -3: X=0.67991000 Y=0.72860000 Z=0.89010000
Zr         NPT=  781  R0=.000010000 RMT= 2.50000     Z:  40.00000              
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=0.25000000 Z=0.10788000
          MULT= 2          ISPLIT= 8
      -4: X=0.00000000 Y=0.75000000 Z=0.89212000
Zr         NPT=  781  R0=.000010000 RMT= 2.50000     Z:  40.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -5: X=0.79801000 Y=0.37297000 Z=0.04683000
          MULT= 4          ISPLIT= 8
      -5: X=0.20199000 Y=0.62703000 Z=0.95317000
      -5: X=0.20199000 Y=0.12703000 Z=0.04683000
      -5: X=0.79801000 Y=0.87297000 Z=0.95317000
Te         NPT=  781  R0=.000010000 RMT= 2.50000     Z:  52.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -6: X=0.94396000 Y=0.44347000 Z=0.14819000
          MULT= 4          ISPLIT= 8
      -6: X=0.05604000 Y=0.55653000 Z=0.85181000
      -6: X=0.05604000 Y=0.05653000 Z=0.14819000
      -6: X=0.94396000 Y=0.94347000 Z=0.85181000
Te         NPT=  781  R0=.000010000 RMT= 2.50000     Z:  52.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -7: X=0.88178000 Y=0.12426000 Z=0.03246000
          MULT= 4          ISPLIT= 8
      -7: X=0.11822000 Y=0.87574000 Z=0.96754000
      -7: X=0.11822000 Y=0.37574000 Z=0.03246000
      -7: X=0.88178000 Y=0.62426000 Z=0.96754000
Te         NPT=  781  R0=.000010000 RMT= 2.50000     Z:  52.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -8: X=0.80706000 Y=0.24573000 Z=0.45151000
          MULT= 4          ISPLIT= 8
      -8: X=0.19294000 Y=0.75427000 Z=0.54849000
      -8: X=0.19294000 Y=0.25427000 Z=0.45151000
      -8: X=0.80706000 Y=0.74573000 Z=0.54849000
Te         NPT=  781  R0=.000010000 RMT= 2.50000     Z:  52.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -9: X=0.85064000 Y=0.21447000 Z=0.22857000
          MULT= 4          ISPLIT= 8
      -9: X=0.14936000 Y=0.78553000 Z=0.77143000
      -9: X=0.14936000 Y=0.28553000 Z=0.22857000
      -9: X=0.85064000 Y=0.71447000 Z=0.77143000
Te         NPT=  781  R0=.000010000 RMT= 2.50000     Z:  52.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM -10: X=0.64435000 Y=0.33879000 Z=0.23840000
          MULT= 4          ISPLIT= 8
     -10: X=0.35565000 Y=0.66121000 Z=0.76160000
     -10: X=0.35565000 Y=0.16121000 Z=0.23840000
     -10: X=0.64435000 Y=0.83879000 Z=0.76160000
Te         NPT=  781  R0=.000010000 RMT= 2.50000     Z:  52.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM -11: X=0.51610000 Y=0.12236000 Z=0.06054000
          MULT= 4          ISPLIT= 8
     -11: X=0.48390000 Y=0.87764000 Z=0.93946000
     -11: X=0.48390000 Y=0.37764000 Z=0.06054000
     -11: X=0.51610000 Y=0.62236000 Z=0.93946000
Te         NPT=  781  R0=.000010000 RMT= 2.50000     Z:  52.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM -12: X=0.65174000 Y=0.05771000 Z=0.17768000
          MULT= 4          ISPLIT= 8
     -12: X=0.34826000 Y=0.94229000 Z=0.82232000
     -12: X=0.34826000 Y=0.44229000 Z=0.17768000
     -12: X=0.65174000 Y=0.55771000 Z=0.82232000
Te         NPT=  781  R0=.000010000 RMT= 2.50000     Z:  52.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000