P   LATTICE,NONEQUIV.ATOMS   7   14 P21/n                                      
MODE OF CALC=RELA unit=bohr                                                    
 24.745964 12.523593 14.171056 90.000000 90.000000 91.992000                   
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= 2.12        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=0.26267000 Y=0.50650000 Z=0.29625000
          MULT= 4          ISPLIT= 8
      -2: X=0.73733000 Y=0.49350000 Z=0.70375000
      -2: X=0.23733000 Y=0.99350000 Z=0.79625000
      -2: X=0.76267000 Y=0.00650000 Z=0.20375000
Hg         NPT=  781  R0=.000005000 RMT= 2.12        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
Hf         NPT=  781  R0=.000005000 RMT= 2.47        Z:  72.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -4: X=0.33100000 Y=0.31850000 Z=0.03700000
          MULT= 4          ISPLIT= 8
      -4: X=0.66900000 Y=0.68150000 Z=0.96300000
      -4: X=0.16900000 Y=0.18150000 Z=0.53700000
      -4: X=0.83100000 Y=0.81850000 Z=0.46300000
Se         NPT=  781  R0=.000050000 RMT= 1.90        Z:  34.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -5: X=0.05820000 Y=0.31160000 Z=0.14820000
          MULT= 4          ISPLIT= 8
      -5: X=0.94180000 Y=0.68840000 Z=0.85180000
      -5: X=0.44180000 Y=0.18840000 Z=0.64820000
      -5: X=0.55820000 Y=0.81160000 Z=0.35180000
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=0.06660000 Y=0.13800000 Z=0.71860000
          MULT= 4          ISPLIT= 8
      -6: X=0.93340000 Y=0.86200000 Z=0.28140000
      -6: X=0.43340000 Y=0.36200000 Z=0.21860000
      -6: X=0.56660000 Y=0.63800000 Z=0.78140000
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=0.33390000 Y=0.14950000 Z=0.55170000
          MULT= 4          ISPLIT= 8
      -7: X=0.66610000 Y=0.85050000 Z=0.44830000
      -7: X=0.16610000 Y=0.35050000 Z=0.05170000
      -7: X=0.83390000 Y=0.64950000 Z=0.94830000
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