CXY LATTICE,NONEQUIV.ATOMS   8   64 Cmca                                       
MODE OF CALC=RELA unit=bohr                                                    
 22.810884 27.601340 26.951274 90.000000 90.000000 90.000000                   
ATOM  -1: X=0.39000000 Y=0.42500000 Z=0.05000000
          MULT= 8          ISPLIT= 8
      -1: X=0.61000000 Y=0.57500000 Z=0.95000000
      -1: X=0.39000000 Y=0.92500000 Z=0.45000000
      -1: X=0.61000000 Y=0.07500000 Z=0.55000000
      -1: X=0.61000000 Y=0.42500000 Z=0.05000000
      -1: X=0.39000000 Y=0.57500000 Z=0.95000000
      -1: X=0.61000000 Y=0.92500000 Z=0.45000000
      -1: X=0.39000000 Y=0.07500000 Z=0.55000000
W          NPT=  781  R0=.000005000 RMT= 2.43        Z:  74.00000              
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=0.07300000 Z=0.10600000
          MULT= 4          ISPLIT= 8
      -2: X=0.00000000 Y=0.92700000 Z=0.89400000
      -2: X=0.00000000 Y=0.57300000 Z=0.39400000
      -2: X=0.00000000 Y=0.42700000 Z=0.60600000
W          NPT=  781  R0=.000005000 RMT= 2.43        Z:  74.00000              
LOCAL ROT MATRIX:    0.0000000 0.0000000 1.0000000
                     1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
ATOM  -3: X=0.21000000 Y=0.07300000 Z=0.10800000
          MULT= 8          ISPLIT= 8
      -3: X=0.79000000 Y=0.92700000 Z=0.89200000
      -3: X=0.21000000 Y=0.57300000 Z=0.39200000
      -3: X=0.79000000 Y=0.42700000 Z=0.60800000
      -3: X=0.79000000 Y=0.07300000 Z=0.10800000
      -3: X=0.21000000 Y=0.92700000 Z=0.89200000
      -3: X=0.79000000 Y=0.57300000 Z=0.39200000
      -3: X=0.21000000 Y=0.42700000 Z=0.60800000
Br         NPT=  781  R0=.000050000 RMT= 2.28        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=0.00000000 Y=0.42500000 Z=0.29000000
          MULT= 4          ISPLIT= 8
      -4: X=0.00000000 Y=0.57500000 Z=0.71000000
      -4: X=0.00000000 Y=0.92500000 Z=0.21000000
      -4: X=0.00000000 Y=0.07500000 Z=0.79000000
Br         NPT=  781  R0=.000050000 RMT= 2.28        Z:  35.00000              
LOCAL ROT MATRIX:    0.0000000 0.0000000 1.0000000
                     1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
ATOM  -5: X=0.00000000 Y=0.21800000 Z=0.00600000
          MULT= 4          ISPLIT= 8
      -5: X=0.00000000 Y=0.78200000 Z=0.99400000
      -5: X=0.00000000 Y=0.71800000 Z=0.49400000
      -5: X=0.00000000 Y=0.28200000 Z=0.50600000
Br         NPT=  781  R0=.000050000 RMT= 2.28        Z:  35.00000              
LOCAL ROT MATRIX:    0.0000000 0.0000000 1.0000000
                     1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
ATOM  -6: X=0.24100000 Y=0.32500000 Z=0.12300000
          MULT= 8          ISPLIT= 8
      -6: X=0.75900000 Y=0.67500000 Z=0.87700000
      -6: X=0.24100000 Y=0.82500000 Z=0.37700000
      -6: X=0.75900000 Y=0.17500000 Z=0.62300000
      -6: X=0.75900000 Y=0.32500000 Z=0.12300000
      -6: X=0.24100000 Y=0.67500000 Z=0.87700000
      -6: X=0.75900000 Y=0.82500000 Z=0.37700000
      -6: X=0.24100000 Y=0.17500000 Z=0.62300000
Br         NPT=  781  R0=.000050000 RMT= 2.28        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  -7: X=0.00000000 Y=0.17200000 Z=0.26400000
          MULT= 4          ISPLIT= 8
      -7: X=0.00000000 Y=0.82800000 Z=0.73600000
      -7: X=0.00000000 Y=0.67200000 Z=0.23600000
      -7: X=0.00000000 Y=0.32800000 Z=0.76400000
Br         NPT=  781  R0=.000050000 RMT= 2.28        Z:  35.00000              
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=0.05000000 Z=0.43200000
          MULT= 4          ISPLIT= 8
      -8: X=0.00000000 Y=0.95000000 Z=0.56800000
      -8: X=0.00000000 Y=0.55000000 Z=0.06800000
      -8: X=0.00000000 Y=0.45000000 Z=0.93200000
Br         NPT=  781  R0=.000050000 RMT= 2.28        Z:  35.00000              
LOCAL ROT MATRIX:    0.0000000 0.0000000 1.0000000
                     1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000