CXZ LATTICE,NONEQUIV.ATOMS   7   12 B2/m                                       
MODE OF CALC=RELA unit=bohr                                                    
 33.599331 22.752303  6.657505 90.000000 90.000000 49.900000                   
ATOM  -1: X=0.00000000 Y=0.00000000 Z=0.00000000
          MULT= 1          ISPLIT= 8
Sc         NPT=  781  R0=.000050000 RMT= 2.49        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=0.48820000 Y=0.38640000 Z=0.00000000
          MULT= 2          ISPLIT= 8
      -2: X=0.51180000 Y=0.61360000 Z=0.00000000
Sc         NPT=  781  R0=.000050000 RMT= 2.49        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=0.83720000 Y=0.67530000 Z=0.00000000
          MULT= 2          ISPLIT= 8
      -3: X=0.16280000 Y=0.32470000 Z=0.00000000
Sc         NPT=  781  R0=.000050000 RMT= 2.49        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=0.70130000 Y=0.43230000 Z=0.00000000
          MULT= 2          ISPLIT= 8
      -4: X=0.29870000 Y=0.56770000 Z=0.00000000
Cl         NPT=  781  R0=.000100000 RMT= 2.26        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=0.36720000 Y=0.10330000 Z=0.00000000
          MULT= 2          ISPLIT= 8
      -5: X=0.63280000 Y=0.89670000 Z=0.00000000
Cl         NPT=  781  R0=.000100000 RMT= 2.26        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=0.67230000 Y=0.16250000 Z=0.00000000
          MULT= 2          ISPLIT= 8
      -6: X=0.32770000 Y=0.83750000 Z=0.00000000
Cl         NPT=  781  R0=.000100000 RMT= 2.26        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=0.97020000 Y=0.23850000 Z=0.00000000
          MULT= 2          ISPLIT= 8
      -7: X=0.02980000 Y=0.76150000 Z=0.00000000
Cl         NPT=  781  R0=.000100000 RMT= 2.26        Z:  17.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000