P   LATTICE,NONEQUIV.ATOMS   3  127 P4/mbm                                     
MODE OF CALC=RELA unit=bohr                                                    
 17.882478 17.882478  5.727760 90.000000 90.000000 90.000000                   
ATOM  -1: X=0.00000000 Y=0.50000000 Z=0.00000000
          MULT= 2          ISPLIT= 8
      -1: X=0.50000000 Y=0.00000000 Z=0.00000000
Hg         NPT=  781  R0=.000005000 RMT= 2.50000     Z:  80.00000              
LOCAL ROT MATRIX:    0.7071068 0.7071068 0.0000000
                    -0.7071068 0.7071068 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -2: X=0.04000000 Y=0.22000000 Z=0.00000000
          MULT= 8          ISPLIT= 8
      -2: X=0.96000000 Y=0.78000000 Z=0.00000000
      -2: X=0.78000000 Y=0.04000000 Z=0.00000000
      -2: X=0.22000000 Y=0.96000000 Z=0.00000000
      -2: X=0.46000000 Y=0.72000000 Z=0.00000000
      -2: X=0.54000000 Y=0.28000000 Z=0.00000000
      -2: X=0.28000000 Y=0.46000000 Z=0.00000000
      -2: X=0.72000000 Y=0.54000000 Z=0.00000000
Hg         NPT=  781  R0=.000005000 RMT= 2.50000     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=0.21000000 Y=0.71000000 Z=0.50000000
          MULT= 4          ISPLIT= 8
      -3: X=0.79000000 Y=0.29000000 Z=0.50000000
      -3: X=0.29000000 Y=0.21000000 Z=0.50000000
      -3: X=0.71000000 Y=0.79000000 Z=0.50000000
Pd         NPT=  781  R0=.000010000 RMT= 2.50000     Z:  46.00000              
LOCAL ROT MATRIX:    0.0000000-0.7071068 0.7071068
                     0.0000000 0.7071068 0.7071068
                    -1.0000000 0.0000000 0.0000000