CXY LATTICE,NONEQUIV.ATOMS   7   64 Cmca                                       
MODE OF CALC=RELA unit=bohr                                                    
 27.949050 22.296879 22.323335 90.000000 90.000000 90.000000                   
ATOM  -1: X=0.12590000 Y=0.00000000 Z=0.00000000
          MULT= 4          ISPLIT= 8
      -1: X=0.87410000 Y=0.00000000 Z=0.00000000
      -1: X=0.12590000 Y=0.50000000 Z=0.50000000
      -1: X=0.87410000 Y=0.50000000 Z=0.50000000
W          NPT=  781  R0=.000005000 RMT= 2.45        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  -2: X=0.00000000 Y=0.14290000 Z=0.06640000
          MULT= 4          ISPLIT= 8
      -2: X=0.00000000 Y=0.85710000 Z=0.93360000
      -2: X=0.00000000 Y=0.64290000 Z=0.43360000
      -2: X=0.00000000 Y=0.35710000 Z=0.56640000
W          NPT=  781  R0=.000005000 RMT= 2.45        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=0.00000000 Y=0.43320000 Z=0.35710000
          MULT= 4          ISPLIT= 8
      -3: X=0.00000000 Y=0.56680000 Z=0.64290000
      -3: X=0.00000000 Y=0.93320000 Z=0.14290000
      -3: X=0.00000000 Y=0.06680000 Z=0.85710000
W          NPT=  781  R0=.000005000 RMT= 2.45        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  -4: X=0.12450000 Y=0.07650000 Z=0.20960000
          MULT= 8          ISPLIT= 8
      -4: X=0.87550000 Y=0.92350000 Z=0.79040000
      -4: X=0.12450000 Y=0.57650000 Z=0.29040000
      -4: X=0.87550000 Y=0.42350000 Z=0.70960000
      -4: X=0.87550000 Y=0.07650000 Z=0.20960000
      -4: X=0.12450000 Y=0.92350000 Z=0.79040000
      -4: X=0.87550000 Y=0.57650000 Z=0.29040000
      -4: X=0.12450000 Y=0.42350000 Z=0.70960000
Br         NPT=  781  R0=.000050000 RMT= 2.33        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=0.37520000 Y=0.29130000 Z=0.07670000
          MULT= 8          ISPLIT= 8
      -5: X=0.62480000 Y=0.70870000 Z=0.92330000
      -5: X=0.37520000 Y=0.79130000 Z=0.42330000
      -5: X=0.62480000 Y=0.20870000 Z=0.57670000
      -5: X=0.62480000 Y=0.29130000 Z=0.07670000
      -5: X=0.37520000 Y=0.70870000 Z=0.92330000
      -5: X=0.62480000 Y=0.79130000 Z=0.42330000
      -5: X=0.37520000 Y=0.20870000 Z=0.57670000
Br         NPT=  781  R0=.000050000 RMT= 2.33        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  -6: X=0.29830000 Y=0.00000000 Z=0.00000000
          MULT= 4          ISPLIT= 8
      -6: X=0.70170000 Y=0.00000000 Z=0.00000000
      -6: X=0.29830000 Y=0.50000000 Z=0.50000000
      -6: X=0.70170000 Y=0.50000000 Z=0.50000000
Br         NPT=  781  R0=.000050000 RMT= 2.33        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  -7: X=0.00000000 Y=0.35270000 Z=0.14710000
          MULT= 4          ISPLIT= 8
      -7: X=0.00000000 Y=0.64730000 Z=0.85290000
      -7: X=0.00000000 Y=0.85270000 Z=0.35290000
      -7: X=0.00000000 Y=0.14730000 Z=0.64710000
Br         NPT=  781  R0=.000050000 RMT= 2.33        Z:  35.00000              
LOCAL ROT MATRIX:    0.0000000 0.0000000 1.0000000
                     1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000