CXZ LATTICE,NONEQUIV.ATOMS  10    5 B2                                         
MODE OF CALC=RELA unit=bohr                                                    
 26.031544 16.028090 10.560923 90.000000 90.000000 71.060000                   
ATOM  -1: X=0.00000000 Y=0.00000000 Z=0.04770000
          MULT= 1          ISPLIT= 8
Cs         NPT=  781  R0=.000010000 RMT= 2.50000     Z:  55.00000              
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=0.22198000
          MULT= 1          ISPLIT= 8
Au         NPT=  781  R0=.000005000 RMT= 2.03        Z:  79.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -3: X=0.17774000 Y=0.16927000 Z=0.47123000
          MULT= 2          ISPLIT= 8
      -3: X=0.82226000 Y=0.83073000 Z=0.47123000
I          NPT=  781  R0=.000010000 RMT= 1.80        Z:  53.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -4: X=0.84591000 Y=0.34932000 Z=0.52162000
          MULT= 2          ISPLIT= 8
      -4: X=0.15409000 Y=0.65068000 Z=0.52162000
I          NPT=  781  R0=.000010000 RMT= 1.80        Z:  53.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -5: X=0.90240000 Y=0.72800000 Z=0.20200000
          MULT= 2          ISPLIT= 8
      -5: X=0.09760000 Y=0.27200000 Z=0.20200000
O          NPT=  781  R0=.000100000 RMT= 1.54        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  -6: X=0.29300000 Y=0.20860000 Z=0.38700000
          MULT= 2          ISPLIT= 8
      -6: X=0.70700000 Y=0.79140000 Z=0.38700000
O          NPT=  781  R0=.000100000 RMT= 1.54        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=0.79790000 Y=0.03700000 Z=0.35500000
          MULT= 2          ISPLIT= 8
      -7: X=0.20210000 Y=0.96300000 Z=0.35500000
O          NPT=  781  R0=.000100000 RMT= 1.54        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=0.46830000 Y=0.20270000 Z=0.08720000
          MULT= 2          ISPLIT= 8
      -8: X=0.53170000 Y=0.79730000 Z=0.08720000
O          NPT=  781  R0=.000100000 RMT= 1.54        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=0.64820000 Y=0.47310000 Z=0.19300000
          MULT= 2          ISPLIT= 8
      -9: X=0.35180000 Y=0.52690000 Z=0.19300000
O          NPT=  781  R0=.000100000 RMT= 1.54        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=0.88080000 Y=0.41750000 Z=0.22000000
          MULT= 2          ISPLIT= 8
     -10: X=0.11920000 Y=0.58250000 Z=0.22000000
O          NPT=  781  R0=.000100000 RMT= 1.54        Z:   8.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000