P   LATTICE,NONEQUIV.ATOMS   6   14 P21/n                                      
MODE OF CALC=RELA unit=bohr                                                    
 25.666260 12.585576  9.822796 90.000000 90.000000 97.936000                   
ATOM  -1: X=0.20112000 Y=0.80597000 Z=0.37930000
          MULT= 4          ISPLIT= 8
      -1: X=0.79888000 Y=0.19403000 Z=0.62070000
      -1: X=0.29888000 Y=0.69403000 Z=0.87930000
      -1: X=0.70112000 Y=0.30597000 Z=0.12070000
Hg         NPT=  781  R0=.000005000 RMT= 2.03        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  -2: X=0.05222000 Y=0.17515000 Z=0.27600000
          MULT= 4          ISPLIT= 8
      -2: X=0.94778000 Y=0.82485000 Z=0.72400000
      -2: X=0.44778000 Y=0.32485000 Z=0.77600000
      -2: X=0.55222000 Y=0.67515000 Z=0.22400000
Hg         NPT=  781  R0=.000005000 RMT= 2.03        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=0.38239000 Y=0.48980000 Z=0.29280000
          MULT= 4          ISPLIT= 8
      -3: X=0.61761000 Y=0.51020000 Z=0.70720000
      -3: X=0.11761000 Y=0.01020000 Z=0.79280000
      -3: X=0.88239000 Y=0.98980000 Z=0.20720000
I          NPT=  781  R0=.000010000 RMT= 1.98        Z:  53.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -4: X=0.41790000 Y=0.06890000 Z=0.00500000
          MULT= 4          ISPLIT= 8
      -4: X=0.58210000 Y=0.93110000 Z=0.99500000
      -4: X=0.08210000 Y=0.43110000 Z=0.50500000
      -4: X=0.91790000 Y=0.56890000 Z=0.49500000
Cl         NPT=  781  R0=.000100000 RMT= 1.75        Z:  17.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -5: X=0.20930000 Y=0.07040000 Z=0.15800000
          MULT= 4          ISPLIT= 8
      -5: X=0.79070000 Y=0.92960000 Z=0.84200000
      -5: X=0.29070000 Y=0.42960000 Z=0.65800000
      -5: X=0.70930000 Y=0.57040000 Z=0.34200000
Cl         NPT=  781  R0=.000100000 RMT= 1.75        Z:  17.00000              
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= 2          ISPLIT= 8
      -6: X=0.50000000 Y=0.50000000 Z=0.50000000
S          NPT=  781  R0=.000100000 RMT= 1.58        Z:  16.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000