CXY LATTICE,NONEQUIV.ATOMS   7   65 Cmmm                                       
MODE OF CALC=RELA unit=bohr                                                    
 17.108258 34.897573  8.759637 90.000000 90.000000 90.000000                   
ATOM  -1: X=0.26180000 Y=0.00000000 Z=0.50000000
          MULT= 2          ISPLIT= 8
      -1: X=0.73820000 Y=0.00000000 Z=0.50000000
Hg         NPT=  781  R0=.000005000 RMT= 2.50000     Z:  80.00000              
LOCAL ROT MATRIX:    0.0000000 0.0000000 1.0000000
                     0.0000000 1.0000000 0.0000000
                    -1.0000000 0.0000000 0.0000000
ATOM  -2: X=0.00000000 Y=0.14710000 Z=0.50000000
          MULT= 2          ISPLIT= 8
      -2: X=0.00000000 Y=0.85290000 Z=0.50000000
Hg         NPT=  781  R0=.000005000 RMT= 2.50000     Z:  80.00000              
LOCAL ROT MATRIX:    0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
                     1.0000000 0.0000000 0.0000000
ATOM  -3: X=0.28670000 Y=0.13970000 Z=0.00000000
          MULT= 4          ISPLIT= 8
      -3: X=0.71330000 Y=0.86030000 Z=0.00000000
      -3: X=0.71330000 Y=0.13970000 Z=0.00000000
      -3: X=0.28670000 Y=0.86030000 Z=0.00000000
Cd         NPT=  781  R0=.000010000 RMT= 2.41        Z:  48.00000              
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=0.24750000 Z=0.00000000
          MULT= 2          ISPLIT= 8
      -4: X=0.00000000 Y=0.75250000 Z=0.00000000
Br         NPT=  781  R0=.000050000 RMT= 2.50000     Z:  35.00000              
LOCAL ROT MATRIX:    0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
                     1.0000000 0.0000000 0.0000000
ATOM  -5: X=0.50000000 Y=0.00000000 Z=0.00000000
          MULT= 1          ISPLIT= 8
Br         NPT=  781  R0=.000050000 RMT= 2.50000     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=0.00000000 Y=0.00000000 Z=0.00000000
          MULT= 1          ISPLIT= 8
Br         NPT=  781  R0=.000050000 RMT= 2.50000     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=0.26290000 Y=0.12930000 Z=0.50000000
          MULT= 4          ISPLIT= 8
      -7: X=0.73710000 Y=0.87070000 Z=0.50000000
      -7: X=0.73710000 Y=0.12930000 Z=0.50000000
      -7: X=0.26290000 Y=0.87070000 Z=0.50000000
S          NPT=  781  R0=.000100000 RMT= 1.96        Z:  16.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000