CXZ LATTICE,NONEQUIV.ATOMS   9   12 B2/m                                       
MODE OF CALC=RELA unit=bohr                                                    
 35.186701 23.149145  6.683205 90.000000 90.000000 88.020000                   
ATOM  -1: X=0.00000000 Y=0.00000000 Z=0.00000000
          MULT= 1          ISPLIT= 8
Sc         NPT=  781  R0=.000050000 RMT= 2.41        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=0.66860000 Y=0.24660000 Z=0.00000000
          MULT= 2          ISPLIT= 8
      -2: X=0.33140000 Y=0.75340000 Z=0.00000000
Sc         NPT=  781  R0=.000050000 RMT= 2.41        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=0.31090000 Y=0.29350000 Z=0.00000000
          MULT= 2          ISPLIT= 8
      -3: X=0.68910000 Y=0.70650000 Z=0.00000000
Sc         NPT=  781  R0=.000050000 RMT= 2.41        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=0.81640000 Y=0.53070000 Z=0.00000000
          MULT= 2          ISPLIT= 8
      -4: X=0.18360000 Y=0.46930000 Z=0.00000000
Sc         NPT=  781  R0=.000050000 RMT= 2.41        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  -5: X=0.58450000 Y=0.40420000 Z=0.00000000
          MULT= 2          ISPLIT= 8
      -5: X=0.41550000 Y=0.59580000 Z=0.00000000
Cl         NPT=  781  R0=.000100000 RMT= 2.18        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=0.90120000 Y=0.35480000 Z=0.00000000
          MULT= 2          ISPLIT= 8
      -6: X=0.09880000 Y=0.64520000 Z=0.00000000
Cl         NPT=  781  R0=.000100000 RMT= 2.18        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=0.44350000 Y=0.11920000 Z=0.00000000
          MULT= 2          ISPLIT= 8
      -7: X=0.55650000 Y=0.88080000 Z=0.00000000
Cl         NPT=  781  R0=.000100000 RMT= 2.18        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=0.78500000 Y=0.14070000 Z=0.00000000
          MULT= 2          ISPLIT= 8
      -8: X=0.21500000 Y=0.85930000 Z=0.00000000
Cl         NPT=  781  R0=.000100000 RMT= 2.18        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  -9: X=0.89020000 Y=0.87920000 Z=0.00000000
          MULT= 2          ISPLIT= 8
      -9: X=0.10980000 Y=0.12080000 Z=0.00000000
Cl         NPT=  781  R0=.000100000 RMT= 2.18        Z:  17.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000