CXZ LATTICE,NONEQUIV.ATOMS   8   12 B2/m                                       
MODE OF CALC=RELA unit=bohr                                                    
 33.637125 22.774979  6.662985 90.000000 90.000000 49.890000                   
ATOM  -1: X=0.00000000 Y=0.00000000 Z=0.00000000
          MULT= 1          ISPLIT= 8
Sc         NPT=  781  R0=.000050000 RMT= 2.31        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=0.48775000 Y=0.38626000 Z=0.00000000
          MULT= 2          ISPLIT= 8
      -2: X=0.51225000 Y=0.61374000 Z=0.00000000
Sc         NPT=  781  R0=.000050000 RMT= 2.31        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=0.83662000 Y=0.67583000 Z=0.00000000
          MULT= 2          ISPLIT= 8
      -3: X=0.16338000 Y=0.32417000 Z=0.00000000
Sc         NPT=  781  R0=.000050000 RMT= 2.31        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=0.70194000 Y=0.43290000 Z=0.00000000
          MULT= 2          ISPLIT= 8
      -4: X=0.29806000 Y=0.56710000 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=0.36701000 Y=0.10360000 Z=0.00000000
          MULT= 2          ISPLIT= 8
      -5: X=0.63299000 Y=0.89640000 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=0.67222000 Y=0.16390000 Z=0.00000000
          MULT= 2          ISPLIT= 8
      -6: X=0.32778000 Y=0.83610000 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=0.97021000 Y=0.23740000 Z=0.00000000
          MULT= 2          ISPLIT= 8
      -7: X=0.02979000 Y=0.76260000 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
C          NPT=  781  R0=.000100000 RMT= 1.89        Z:   6.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000