CXZ LATTICE,NONEQUIV.ATOMS   8   12 B2/m                                       
MODE OF CALC=RELA unit=bohr                                                    
 40.736826 23.383471  7.387506 90.000000 90.000000 56.450000                   
ATOM  -1: X=0.73256000 Y=0.32560000 Z=0.00000000
          MULT= 2          ISPLIT= 8
      -1: X=0.26744000 Y=0.67440000 Z=0.00000000
Y          NPT=  781  R0=.000010000 RMT= 2.44        Z:  39.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -2: X=0.18950000 Y=0.13120000 Z=0.00000000
          MULT= 2          ISPLIT= 8
      -2: X=0.81050000 Y=0.86880000 Z=0.00000000
Y          NPT=  781  R0=.000010000 RMT= 2.44        Z:  39.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -3: X=0.36311000 Y=0.05820000 Z=0.00000000
          MULT= 2          ISPLIT= 8
      -3: X=0.63689000 Y=0.94180000 Z=0.00000000
Y          NPT=  781  R0=.000010000 RMT= 2.44        Z:  39.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -4: X=0.89415000 Y=0.55784000 Z=0.00000000
          MULT= 2          ISPLIT= 8
      -4: X=0.10585000 Y=0.44216000 Z=0.00000000
I          NPT=  781  R0=.000010000 RMT= 2.50000     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=0.33950000 Y=0.33421000 Z=0.00000000
          MULT= 2          ISPLIT= 8
      -5: X=0.66050000 Y=0.66579000 Z=0.00000000
I          NPT=  781  R0=.000010000 RMT= 2.50000     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  -6: X=0.55427000 Y=0.22952000 Z=0.00000000
          MULT= 2          ISPLIT= 8
      -6: X=0.44573000 Y=0.77048000 Z=0.00000000
I          NPT=  781  R0=.000010000 RMT= 2.50000     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  -7: X=0.00000000 Y=0.00000000 Z=0.00000000
          MULT= 1          ISPLIT= 8
I          NPT=  781  R0=.000010000 RMT= 2.50000     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  -8: X=0.78070000 Y=0.10180000 Z=0.00000000
          MULT= 2          ISPLIT= 8
      -8: X=0.21930000 Y=0.89820000 Z=0.00000000
C          NPT=  781  R0=.000100000 RMT= 1.99        Z:   6.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000