CXZ LATTICE,NONEQUIV.ATOMS  12   15 B2/b                                       
MODE OF CALC=RELA unit=bohr                                                    
 29.484830 26.284390 17.120730 90.000000 90.000000 55.892000                   
ATOM  -1: X=0.00000000 Y=0.25000000 Z=0.62350000
          MULT= 2          ISPLIT= 8
      -1: X=0.00000000 Y=0.75000000 Z=0.37650000
Pb         NPT=  781  R0=.000005000 RMT= 2.50000     Z:  82.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -2: X=0.66720000 Y=0.11390000 Z=0.41450000
          MULT= 4          ISPLIT= 8
      -2: X=0.33280000 Y=0.88610000 Z=0.58550000
      -2: X=0.33280000 Y=0.38610000 Z=0.41450000
      -2: X=0.66720000 Y=0.61390000 Z=0.58550000
Pb         NPT=  781  R0=.000005000 RMT= 2.50000     Z:  82.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -3: X=0.83980000 Y=0.37490000 Z=0.33050000
          MULT= 4          ISPLIT= 8
      -3: X=0.16020000 Y=0.62510000 Z=0.66950000
      -3: X=0.16020000 Y=0.12510000 Z=0.33050000
      -3: X=0.83980000 Y=0.87490000 Z=0.66950000
Pb         NPT=  781  R0=.000005000 RMT= 2.50000     Z:  82.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -4: X=0.89860000 Y=0.11740000 Z=0.12680000
          MULT= 4          ISPLIT= 8
      -4: X=0.10140000 Y=0.88260000 Z=0.87320000
      -4: X=0.10140000 Y=0.38260000 Z=0.12680000
      -4: X=0.89860000 Y=0.61740000 Z=0.87320000
Pb         NPT=  781  R0=.000005000 RMT= 2.50000     Z:  82.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -5: X=0.62950000 Y=0.38190000 Z=0.12170000
          MULT= 4          ISPLIT= 8
      -5: X=0.37050000 Y=0.61810000 Z=0.87830000
      -5: X=0.37050000 Y=0.11810000 Z=0.12170000
      -5: X=0.62950000 Y=0.88190000 Z=0.87830000
Pb         NPT=  781  R0=.000005000 RMT= 2.50000     Z:  82.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -6: X=0.00000000 Y=0.25000000 Z=0.12510000
          MULT= 2          ISPLIT= 8
      -6: X=0.00000000 Y=0.75000000 Z=0.87490000
Pd         NPT=  781  R0=.000010000 RMT= 2.48        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=0.61790000 Y=0.00640000 Z=0.13750000
          MULT= 4          ISPLIT= 8
      -7: X=0.38210000 Y=0.99360000 Z=0.86250000
      -7: X=0.38210000 Y=0.49360000 Z=0.13750000
      -7: X=0.61790000 Y=0.50640000 Z=0.86250000
Pd         NPT=  781  R0=.000010000 RMT= 2.48        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=0.88230000 Y=0.50090000 Z=0.11840000
          MULT= 4          ISPLIT= 8
      -8: X=0.11770000 Y=0.49910000 Z=0.88160000
      -8: X=0.11770000 Y=0.99910000 Z=0.11840000
      -8: X=0.88230000 Y=0.00090000 Z=0.88160000
Pd         NPT=  781  R0=.000010000 RMT= 2.48        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  -9: X=0.97400000 Y=0.64050000 Z=0.13290000
          MULT= 4          ISPLIT= 8
      -9: X=0.02600000 Y=0.35950000 Z=0.86710000
      -9: X=0.02600000 Y=0.85950000 Z=0.13290000
      -9: X=0.97400000 Y=0.14050000 Z=0.86710000
Pd         NPT=  781  R0=.000010000 RMT= 2.48        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 -10: X=0.71930000 Y=0.12990000 Z=0.12320000
          MULT= 4          ISPLIT= 8
     -10: X=0.28070000 Y=0.87010000 Z=0.87680000
     -10: X=0.28070000 Y=0.37010000 Z=0.12320000
     -10: X=0.71930000 Y=0.62990000 Z=0.87680000
Pd         NPT=  781  R0=.000010000 RMT= 2.48        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 -11: X=0.75100000 Y=0.24830000 Z=0.37390000
          MULT= 4          ISPLIT= 8
     -11: X=0.24900000 Y=0.75170000 Z=0.62610000
     -11: X=0.24900000 Y=0.25170000 Z=0.37390000
     -11: X=0.75100000 Y=0.74830000 Z=0.62610000
Pd         NPT=  781  R0=.000010000 RMT= 2.48        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 -12: X=0.98330000 Y=0.12430000 Z=0.38450000
          MULT= 4          ISPLIT= 8
     -12: X=0.01670000 Y=0.87570000 Z=0.61550000
     -12: X=0.01670000 Y=0.37570000 Z=0.38450000
     -12: X=0.98330000 Y=0.62430000 Z=0.61550000
Pd         NPT=  781  R0=.000010000 RMT= 2.48        Z:  46.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000