P   LATTICE,NONEQUIV.ATOMS   7   14 P21/n                                      
MODE OF CALC=RELA unit=bohr                                                    
 24.393152 12.513389 13.888920 90.000000 90.000000 91.755000                   
ATOM  -1: X=0.50000000 Y=0.50000000 Z=0.00000000
          MULT= 2          ISPLIT= 8
      -1: X=0.00000000 Y=0.00000000 Z=0.50000000
Hg         NPT=  781  R0=.000005000 RMT= 2.00        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=0.26166000 Y=0.50958000 Z=0.29713000
          MULT= 4          ISPLIT= 8
      -2: X=0.73834000 Y=0.49042000 Z=0.70287000
      -2: X=0.23834000 Y=0.99042000 Z=0.79713000
      -2: X=0.76166000 Y=0.00958000 Z=0.20287000
Hg         NPT=  781  R0=.000005000 RMT= 2.00        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= 2          ISPLIT= 8
      -3: X=0.50000000 Y=0.50000000 Z=0.50000000
Zr         NPT=  781  R0=.000010000 RMT= 2.42        Z:  40.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -4: X=0.33150000 Y=0.34280000 Z=0.04040000
          MULT= 4          ISPLIT= 8
      -4: X=0.66850000 Y=0.65720000 Z=0.95960000
      -4: X=0.16850000 Y=0.15720000 Z=0.54040000
      -4: X=0.83150000 Y=0.84280000 Z=0.45960000
S          NPT=  781  R0=.000100000 RMT= 1.67        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=0.05940000 Y=0.32000000 Z=0.14490000
          MULT= 4          ISPLIT= 8
      -5: X=0.94060000 Y=0.68000000 Z=0.85510000
      -5: X=0.44060000 Y=0.18000000 Z=0.64490000
      -5: X=0.55940000 Y=0.82000000 Z=0.35510000
Cl         NPT=  781  R0=.000100000 RMT= 1.50        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=0.06540000 Y=0.13060000 Z=0.70830000
          MULT= 4          ISPLIT= 8
      -6: X=0.93460000 Y=0.86940000 Z=0.29170000
      -6: X=0.43460000 Y=0.36940000 Z=0.20830000
      -6: X=0.56540000 Y=0.63060000 Z=0.79170000
Cl         NPT=  781  R0=.000100000 RMT= 1.50        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  -7: X=0.32960000 Y=0.14620000 Z=0.55060000
          MULT= 4          ISPLIT= 8
      -7: X=0.67040000 Y=0.85380000 Z=0.44940000
      -7: X=0.17040000 Y=0.35380000 Z=0.05060000
      -7: X=0.82960000 Y=0.64620000 Z=0.94940000
Cl         NPT=  781  R0=.000100000 RMT= 1.50        Z:  17.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000