CXZ LATTICE,NONEQUIV.ATOMS   8   12 B2/m                                       
MODE OF CALC=RELA unit=bohr                                                    
 33.731611 22.846789  6.709473 90.000000 90.000000 49.870000                   
ATOM  -1: X=0.00000000 Y=0.00000000 Z=0.00000000
          MULT= 1          ISPLIT= 8
Sc         NPT=  781  R0=.000050000 RMT= 2.29        Z:  21.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -2: X=0.48750000 Y=0.38490000 Z=0.00000000
          MULT= 2          ISPLIT= 8
      -2: X=0.51250000 Y=0.61510000 Z=0.00000000
Sc         NPT=  781  R0=.000050000 RMT= 2.29        Z:  21.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -3: X=0.83460000 Y=0.67880000 Z=0.00000000
          MULT= 2          ISPLIT= 8
      -3: X=0.16540000 Y=0.32120000 Z=0.00000000
Sc         NPT=  781  R0=.000050000 RMT= 2.29        Z:  21.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -4: X=0.70270000 Y=0.43100000 Z=0.00000000
          MULT= 2          ISPLIT= 8
      -4: X=0.29730000 Y=0.56900000 Z=0.00000000
Cl         NPT=  781  R0=.000100000 RMT= 2.27        Z:  17.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -5: X=0.36760000 Y=0.10310000 Z=0.00000000
          MULT= 2          ISPLIT= 8
      -5: X=0.63240000 Y=0.89690000 Z=0.00000000
Cl         NPT=  781  R0=.000100000 RMT= 2.27        Z:  17.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -6: X=0.67290000 Y=0.16260000 Z=0.00000000
          MULT= 2          ISPLIT= 8
      -6: X=0.32710000 Y=0.83740000 Z=0.00000000
Cl         NPT=  781  R0=.000100000 RMT= 2.27        Z:  17.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -7: X=0.97000000 Y=0.23720000 Z=0.00000000
          MULT= 2          ISPLIT= 8
      -7: X=0.03000000 Y=0.76280000 Z=0.00000000
Cl         NPT=  781  R0=.000100000 RMT= 2.27        Z:  17.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -8: X=0.00000000 Y=0.50000000 Z=0.00000000
          MULT= 1          ISPLIT= 8
N          NPT=  781  R0=.000100000 RMT= 1.97        Z:   7.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000