CXY LATTICE,NONEQUIV.ATOMS   9   63 Cmcm                                       
MODE OF CALC=RELA unit=bohr                                                    
 22.606794 24.689272 20.873915 90.000000 90.000000 90.000000                   
ATOM  -1: X=0.00000000 Y=0.17710000 Z=0.12650000
          MULT= 4          ISPLIT= 8
      -1: X=0.00000000 Y=0.82290000 Z=0.87350000
      -1: X=0.00000000 Y=0.17710000 Z=0.37350000
      -1: X=0.00000000 Y=0.82290000 Z=0.62650000
Mo         NPT=  781  R0=.000010000 RMT= 2.37        Z:  42.00000              
LOCAL ROT MATRIX:    0.0000000 0.0000000 1.0000000
                     1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
ATOM  -2: X=0.00000000 Y=0.35390000 Z=0.25000000
          MULT= 2          ISPLIT= 8
      -2: X=0.00000000 Y=0.64610000 Z=0.75000000
Mo         NPT=  781  R0=.000010000 RMT= 2.37        Z:  42.00000              
LOCAL ROT MATRIX:    0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
                     1.0000000 0.0000000 0.0000000
ATOM  -3: X=0.18930000 Y=0.11650000 Z=0.25000000
          MULT= 4          ISPLIT= 8
      -3: X=0.81070000 Y=0.88350000 Z=0.75000000
      -3: X=0.81070000 Y=0.11650000 Z=0.25000000
      -3: X=0.18930000 Y=0.88350000 Z=0.75000000
Mo         NPT=  781  R0=.000010000 RMT= 2.37        Z:  42.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -4: X=0.19090000 Y=0.29280000 Z=0.12800000
          MULT= 8          ISPLIT= 8
      -4: X=0.80910000 Y=0.70720000 Z=0.87200000
      -4: X=0.19090000 Y=0.29280000 Z=0.37200000
      -4: X=0.80910000 Y=0.70720000 Z=0.62800000
      -4: X=0.80910000 Y=0.29280000 Z=0.12800000
      -4: X=0.19090000 Y=0.70720000 Z=0.87200000
      -4: X=0.80910000 Y=0.29280000 Z=0.37200000
      -4: X=0.19090000 Y=0.70720000 Z=0.62800000
Mo         NPT=  781  R0=.000010000 RMT= 2.37        Z:  42.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -5: X=0.00000000 Y=0.00830000 Z=0.25000000
          MULT= 2          ISPLIT= 8
      -5: X=0.00000000 Y=0.99170000 Z=0.75000000
Se         NPT=  781  R0=.000050000 RMT= 2.37        Z:  34.00000              
LOCAL ROT MATRIX:    0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
                     1.0000000 0.0000000 0.0000000
ATOM  -6: X=0.00000000 Y=0.34860000 Z=0.01630000
          MULT= 4          ISPLIT= 8
      -6: X=0.00000000 Y=0.65140000 Z=0.98370000
      -6: X=0.00000000 Y=0.34860000 Z=0.48370000
      -6: X=0.00000000 Y=0.65140000 Z=0.51630000
Se         NPT=  781  R0=.000050000 RMT= 2.37        Z:  34.00000              
LOCAL ROT MATRIX:    0.0000000 0.0000000 1.0000000
                     1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
ATOM  -7: X=0.17750000 Y=0.45900000 Z=0.25000000
          MULT= 4          ISPLIT= 8
      -7: X=0.82250000 Y=0.54100000 Z=0.75000000
      -7: X=0.82250000 Y=0.45900000 Z=0.25000000
      -7: X=0.17750000 Y=0.54100000 Z=0.75000000
Se         NPT=  781  R0=.000050000 RMT= 2.37        Z:  34.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -8: X=0.17460000 Y=0.11630000 Z=0.01870000
          MULT= 8          ISPLIT= 8
      -8: X=0.82540000 Y=0.88370000 Z=0.98130000
      -8: X=0.17460000 Y=0.11630000 Z=0.48130000
      -8: X=0.82540000 Y=0.88370000 Z=0.51870000
      -8: X=0.82540000 Y=0.11630000 Z=0.01870000
      -8: X=0.17460000 Y=0.88370000 Z=0.98130000
      -8: X=0.82540000 Y=0.11630000 Z=0.48130000
      -8: X=0.17460000 Y=0.88370000 Z=0.51870000
Se         NPT=  781  R0=.000050000 RMT= 2.37        Z:  34.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -9: X=0.35720000 Y=0.23400000 Z=0.25000000
          MULT= 4          ISPLIT= 8
      -9: X=0.64280000 Y=0.76600000 Z=0.75000000
      -9: X=0.64280000 Y=0.23400000 Z=0.25000000
      -9: X=0.35720000 Y=0.76600000 Z=0.75000000
Se         NPT=  781  R0=.000050000 RMT= 2.37        Z:  34.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000