CXZ LATTICE,NONEQUIV.ATOMS  10    5 B2                                         
MODE OF CALC=RELA unit=bohr                                                    
 25.332913 15.830425 10.247796 90.000000 90.000000 70.816000                   
ATOM  -1: X=0.00000000 Y=0.00000000 Z=0.02340000
          MULT= 1          ISPLIT= 8
K          NPT=  781  R0=.000050000 RMT= 2.50000     Z:  19.00000              
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=0.19004000
          MULT= 1          ISPLIT= 8
Au         NPT=  781  R0=.000005000 RMT= 2.04        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=0.84741000 Y=0.34261000 Z=0.50587000
          MULT= 2          ISPLIT= 8
      -3: X=0.15259000 Y=0.65739000 Z=0.50587000
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=0.17817000 Y=0.16636000 Z=0.45652000
          MULT= 2          ISPLIT= 8
      -4: X=0.82183000 Y=0.83364000 Z=0.45652000
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=0.64810000 Y=0.47500000 Z=0.17000000
          MULT= 2          ISPLIT= 8
      -5: X=0.35190000 Y=0.52500000 Z=0.17000000
O          NPT=  781  R0=.000100000 RMT= 1.55        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=0.47470000 Y=0.19570000 Z=0.07780000
          MULT= 2          ISPLIT= 8
      -6: X=0.52530000 Y=0.80430000 Z=0.07780000
O          NPT=  781  R0=.000100000 RMT= 1.55        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=0.88220000 Y=0.40440000 Z=0.19010000
          MULT= 2          ISPLIT= 8
      -7: X=0.11780000 Y=0.59560000 Z=0.19010000
O          NPT=  781  R0=.000100000 RMT= 1.55        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=0.30110000 Y=0.19120000 Z=0.36880000
          MULT= 2          ISPLIT= 8
      -8: X=0.69890000 Y=0.80880000 Z=0.36880000
O          NPT=  781  R0=.000100000 RMT= 1.55        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=0.80280000 Y=0.04130000 Z=0.33490000
          MULT= 2          ISPLIT= 8
      -9: X=0.19720000 Y=0.95870000 Z=0.33490000
O          NPT=  781  R0=.000100000 RMT= 1.55        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=0.89680000 Y=0.73020000 Z=0.17200000
          MULT= 2          ISPLIT= 8
     -10: X=0.10320000 Y=0.26980000 Z=0.17200000
O          NPT=  781  R0=.000100000 RMT= 1.55        Z:   8.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000