CXY LATTICE,NONEQUIV.ATOMS   6   63 Cmcm                                       
MODE OF CALC=RELA unit=bohr                                                    
 32.597776 12.472192 22.542543 90.000000 90.000000 90.000000                   
ATOM  -1: X=0.42270000 Y=0.41470000 Z=0.10200000
          MULT= 8          ISPLIT= 8
      -1: X=0.57730000 Y=0.58530000 Z=0.89800000
      -1: X=0.42270000 Y=0.41470000 Z=0.39800000
      -1: X=0.57730000 Y=0.58530000 Z=0.60200000
      -1: X=0.57730000 Y=0.41470000 Z=0.10200000
      -1: X=0.42270000 Y=0.58530000 Z=0.89800000
      -1: X=0.57730000 Y=0.41470000 Z=0.39800000
      -1: X=0.42270000 Y=0.58530000 Z=0.60200000
Mo         NPT=  781  R0=.000010000 RMT= 2.42        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  -2: X=0.00000000 Y=0.25720000 Z=0.06250000
          MULT= 4          ISPLIT= 8
      -2: X=0.00000000 Y=0.74280000 Z=0.93750000
      -2: X=0.00000000 Y=0.25720000 Z=0.43750000
      -2: X=0.00000000 Y=0.74280000 Z=0.56250000
Mo         NPT=  781  R0=.000010000 RMT= 2.42        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=0.15100000 Y=0.25420000 Z=0.06400000
          MULT= 8          ISPLIT= 8
      -3: X=0.84900000 Y=0.74580000 Z=0.93600000
      -3: X=0.15100000 Y=0.25420000 Z=0.43600000
      -3: X=0.84900000 Y=0.74580000 Z=0.56400000
      -3: X=0.84900000 Y=0.25420000 Z=0.06400000
      -3: X=0.15100000 Y=0.74580000 Z=0.93600000
      -3: X=0.84900000 Y=0.25420000 Z=0.43600000
      -3: X=0.15100000 Y=0.74580000 Z=0.56400000
Br         NPT=  781  R0=.000050000 RMT= 2.45        Z:  35.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -4: X=0.31710000 Y=0.29360000 Z=0.25000000
          MULT= 4          ISPLIT= 8
      -4: X=0.68290000 Y=0.70640000 Z=0.75000000
      -4: X=0.68290000 Y=0.29360000 Z=0.25000000
      -4: X=0.31710000 Y=0.70640000 Z=0.75000000
Br         NPT=  781  R0=.000050000 RMT= 2.45        Z:  35.00000              
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=0.08910000 Z=0.25000000
          MULT= 2          ISPLIT= 8
      -5: X=0.00000000 Y=0.91090000 Z=0.75000000
S          NPT=  781  R0=.000100000 RMT= 2.08        Z:  16.00000              
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=0.61700000 Z=0.12890000
          MULT= 4          ISPLIT= 8
      -6: X=0.00000000 Y=0.38300000 Z=0.87110000
      -6: X=0.00000000 Y=0.61700000 Z=0.37110000
      -6: X=0.00000000 Y=0.38300000 Z=0.62890000
S          NPT=  781  R0=.000100000 RMT= 2.08        Z:  16.00000              
LOCAL ROT MATRIX:    0.0000000 0.0000000 1.0000000
                     1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000