CXY LATTICE,NONEQUIV.ATOMS  10   63 Cmcm                                       
MODE OF CALC=RELA unit=bohr                                                    
 12.477295 16.922875 31.830547 90.000000 90.000000 90.000000                   
ATOM  -1: X=0.00000000 Y=0.00000000 Z=0.00000000
          MULT= 2          ISPLIT= 8
      -1: X=0.00000000 Y=0.00000000 Z=0.50000000
Mo         NPT=  781  R0=.000010000 RMT= 1.88        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=0.23165000 Z=0.13834000
          MULT= 4          ISPLIT= 8
      -2: X=0.00000000 Y=0.76835000 Z=0.86166000
      -2: X=0.00000000 Y=0.23165000 Z=0.36166000
      -2: X=0.00000000 Y=0.76835000 Z=0.63834000
Mo         NPT=  781  R0=.000010000 RMT= 1.88        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  -3: X=0.00000000 Y=0.61425000 Z=0.07726000
          MULT= 4          ISPLIT= 8
      -3: X=0.00000000 Y=0.38575000 Z=0.92274000
      -3: X=0.00000000 Y=0.61425000 Z=0.42274000
      -3: X=0.00000000 Y=0.38575000 Z=0.57726000
Mo         NPT=  781  R0=.000010000 RMT= 1.88        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  -4: X=0.00000000 Y=0.87220000 Z=0.25000000
          MULT= 2          ISPLIT= 8
      -4: X=0.00000000 Y=0.12780000 Z=0.75000000
K          NPT=  781  R0=.000050000 RMT= 2.48        Z:  19.00000              
LOCAL ROT MATRIX:    0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
                     1.0000000 0.0000000 0.0000000
ATOM  -5: X=0.00000000 Y=0.18780000 Z=0.25000000
          MULT= 2          ISPLIT= 8
      -5: X=0.00000000 Y=0.81220000 Z=0.75000000
O          NPT=  781  R0=.000100000 RMT= 1.70        Z:   8.00000              
LOCAL ROT MATRIX:    0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
                     1.0000000 0.0000000 0.0000000
ATOM  -6: X=0.29650000 Y=0.22680000 Z=0.13220000
          MULT= 8          ISPLIT= 8
      -6: X=0.70350000 Y=0.77320000 Z=0.86780000
      -6: X=0.29650000 Y=0.22680000 Z=0.36780000
      -6: X=0.70350000 Y=0.77320000 Z=0.63220000
      -6: X=0.70350000 Y=0.22680000 Z=0.13220000
      -6: X=0.29650000 Y=0.77320000 Z=0.86780000
      -6: X=0.70350000 Y=0.22680000 Z=0.36780000
      -6: X=0.29650000 Y=0.77320000 Z=0.63220000
O          NPT=  781  R0=.000100000 RMT= 1.70        Z:   8.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -7: X=0.31100000 Y=0.00000000 Z=0.00000000
          MULT= 4          ISPLIT= 8
      -7: X=0.68900000 Y=0.00000000 Z=0.00000000
      -7: X=0.31100000 Y=0.00000000 Z=0.50000000
      -7: X=0.68900000 Y=0.00000000 Z=0.50000000
O          NPT=  781  R0=.000100000 RMT= 1.70        Z:   8.00000              
LOCAL ROT MATRIX:    0.0000000 0.0000000 1.0000000
                     1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
ATOM  -8: X=0.00000000 Y=0.22560000 Z=0.00930000
          MULT= 4          ISPLIT= 8
      -8: X=0.00000000 Y=0.77440000 Z=0.99070000
      -8: X=0.00000000 Y=0.22560000 Z=0.49070000
      -8: X=0.00000000 Y=0.77440000 Z=0.50930000
O          NPT=  781  R0=.000100000 RMT= 1.70        Z:   8.00000              
LOCAL ROT MATRIX:    0.0000000 0.0000000 1.0000000
                     1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
ATOM  -9: X=0.00000000 Y=0.44650000 Z=0.14990000
          MULT= 4          ISPLIT= 8
      -9: X=0.00000000 Y=0.55350000 Z=0.85010000
      -9: X=0.00000000 Y=0.44650000 Z=0.35010000
      -9: X=0.00000000 Y=0.55350000 Z=0.64990000
O          NPT=  781  R0=.000100000 RMT= 1.70        Z:   8.00000              
LOCAL ROT MATRIX:    0.0000000 0.0000000 1.0000000
                     1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
ATOM -10: X=0.00000000 Y=0.01470000 Z=0.11310000
          MULT= 4          ISPLIT= 8
     -10: X=0.00000000 Y=0.98530000 Z=0.88690000
     -10: X=0.00000000 Y=0.01470000 Z=0.38690000
     -10: X=0.00000000 Y=0.98530000 Z=0.61310000
O          NPT=  781  R0=.000100000 RMT= 1.70        Z:   8.00000              
LOCAL ROT MATRIX:    0.0000000 0.0000000 1.0000000
                     1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000