CXY LATTICE,NONEQUIV.ATOMS   6   64 Cmca                                       
MODE OF CALC=RELA unit=bohr                                                    
 13.275515 24.355735  9.809379 90.000000 90.000000 90.000000                   
ATOM  -1: X=0.25000000 Y=0.32040000 Z=0.25000000
          MULT= 4          ISPLIT= 8
      -1: X=0.75000000 Y=0.67960000 Z=0.75000000
      -1: X=0.25000000 Y=0.82040000 Z=0.25000000
      -1: X=0.75000000 Y=0.17960000 Z=0.75000000
Hg         NPT=  781  R0=.000005000 RMT= 2.27        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  -2: X=0.00000000 Y=0.07690000 Z=0.23230000
          MULT= 4          ISPLIT= 8
      -2: X=0.00000000 Y=0.92310000 Z=0.76770000
      -2: X=0.00000000 Y=0.57690000 Z=0.26770000
      -2: X=0.00000000 Y=0.42310000 Z=0.73230000
W          NPT=  781  R0=.000005000 RMT= 1.91        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=0.25000000 Y=0.14000000 Z=0.25000000
          MULT= 4          ISPLIT= 8
      -3: X=0.75000000 Y=0.86000000 Z=0.75000000
      -3: X=0.25000000 Y=0.64000000 Z=0.25000000
      -3: X=0.75000000 Y=0.36000000 Z=0.75000000
O          NPT=  781  R0=.000100000 RMT= 1.64        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  -4: X=0.00000000 Y=0.19720000 Z=0.00010000
          MULT= 4          ISPLIT= 8
      -4: X=0.00000000 Y=0.80280000 Z=0.99990000
      -4: X=0.00000000 Y=0.69720000 Z=0.49990000
      -4: X=0.00000000 Y=0.30280000 Z=0.50010000
O          NPT=  781  R0=.000100000 RMT= 1.64        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  -5: X=0.16140000 Y=0.00000000 Z=0.00000000
          MULT= 4          ISPLIT= 8
      -5: X=0.83860000 Y=0.00000000 Z=0.00000000
      -5: X=0.16140000 Y=0.50000000 Z=0.50000000
      -5: X=0.83860000 Y=0.50000000 Z=0.50000000
O          NPT=  781  R0=.000100000 RMT= 1.64        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  -6: X=0.00000000 Y=0.42150000 Z=0.09650000
          MULT= 4          ISPLIT= 8
      -6: X=0.00000000 Y=0.57850000 Z=0.90350000
      -6: X=0.00000000 Y=0.92150000 Z=0.40350000
      -6: X=0.00000000 Y=0.07850000 Z=0.59650000
O          NPT=  781  R0=.000100000 RMT= 1.64        Z:   8.00000              
LOCAL ROT MATRIX:    0.0000000 0.0000000 1.0000000
                     1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000