P   LATTICE,NONEQUIV.ATOMS   5   61 Pbca                                       
MODE OF CALC=RELA unit=bohr                                                    
 13.810119 26.476953 15.554336 90.000000 90.000000 90.000000                   
ATOM  -1: X=0.43200000 Y=0.10760000 Z=0.11900000
          MULT= 8          ISPLIT= 8
      -1: X=0.56800000 Y=0.89240000 Z=0.88100000
      -1: X=0.93200000 Y=0.10760000 Z=0.38100000
      -1: X=0.06800000 Y=0.89240000 Z=0.61900000
      -1: X=0.06800000 Y=0.60760000 Z=0.11900000
      -1: X=0.93200000 Y=0.39240000 Z=0.88100000
      -1: X=0.56800000 Y=0.60760000 Z=0.38100000
      -1: X=0.43200000 Y=0.39240000 Z=0.61900000
Na         NPT=  781  R0=.000100000 RMT= 2.50000     Z:  11.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -2: X=0.22850000 Y=0.30704000 Z=0.27740000
          MULT= 8          ISPLIT= 8
      -2: X=0.77150000 Y=0.69296000 Z=0.72260000
      -2: X=0.72850000 Y=0.30704000 Z=0.22260000
      -2: X=0.27150000 Y=0.69296000 Z=0.77740000
      -2: X=0.27150000 Y=0.80704000 Z=0.27740000
      -2: X=0.72850000 Y=0.19296000 Z=0.72260000
      -2: X=0.77150000 Y=0.80704000 Z=0.22260000
      -2: X=0.22850000 Y=0.19296000 Z=0.77740000
Hg         NPT=  781  R0=.000005000 RMT= 2.48        Z:  80.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -3: X=0.00000000 Y=0.00000000 Z=0.00000000
          MULT= 4          ISPLIT= 8
      -3: X=0.50000000 Y=0.00000000 Z=0.50000000
      -3: X=0.50000000 Y=0.50000000 Z=0.00000000
      -3: X=0.00000000 Y=0.50000000 Z=0.50000000
Hg         NPT=  781  R0=.000005000 RMT= 2.48        Z:  80.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -4: X=0.26200000 Y=0.48160000 Z=0.33880000
          MULT= 8          ISPLIT= 8
      -4: X=0.73800000 Y=0.51840000 Z=0.66120000
      -4: X=0.76200000 Y=0.48160000 Z=0.16120000
      -4: X=0.23800000 Y=0.51840000 Z=0.83880000
      -4: X=0.23800000 Y=0.98160000 Z=0.33880000
      -4: X=0.76200000 Y=0.01840000 Z=0.66120000
      -4: X=0.73800000 Y=0.98160000 Z=0.16120000
      -4: X=0.26200000 Y=0.01840000 Z=0.83880000
S          NPT=  781  R0=.000100000 RMT= 1.93        Z:  16.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -5: X=0.01300000 Y=0.22870000 Z=0.09990000
          MULT= 8          ISPLIT= 8
      -5: X=0.98700000 Y=0.77130000 Z=0.90010000
      -5: X=0.51300000 Y=0.22870000 Z=0.40010000
      -5: X=0.48700000 Y=0.77130000 Z=0.59990000
      -5: X=0.48700000 Y=0.72870000 Z=0.09990000
      -5: X=0.51300000 Y=0.27130000 Z=0.90010000
      -5: X=0.98700000 Y=0.72870000 Z=0.40010000
      -5: X=0.01300000 Y=0.27130000 Z=0.59990000
S          NPT=  781  R0=.000100000 RMT= 1.93        Z:  16.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000