P   LATTICE,NONEQUIV.ATOMS   3  127 P4/mbm                                     
MODE OF CALC=RELA unit=bohr                                                    
 16.017319 16.017319  7.931181 90.000000 90.000000 90.000000                   
ATOM  -1: X=0.00000000 Y=0.00000000 Z=0.00000000
          MULT= 2          ISPLIT=-2
      -1: X=0.50000000 Y=0.50000000 Z=0.00000000
Ca         NPT=  781  R0=.000050000 RMT= 2.50000     Z:  20.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -2: X=0.16700000 Y=0.66700000 Z=0.50000000
          MULT= 4          ISPLIT= 8
      -2: X=0.83300000 Y=0.33300000 Z=0.50000000
      -2: X=0.33300000 Y=0.16700000 Z=0.50000000
      -2: X=0.66700000 Y=0.83300000 Z=0.50000000
Ca         NPT=  781  R0=.000050000 RMT= 2.50000     Z:  20.00000              
LOCAL ROT MATRIX:    0.0000000-0.7071068 0.7071068
                     0.0000000 0.7071068 0.7071068
                    -1.0000000 0.0000000 0.0000000
ATOM  -3: X=0.62500000 Y=0.12500000 Z=0.00000000
          MULT= 4          ISPLIT= 8
      -3: X=0.37500000 Y=0.87500000 Z=0.00000000
      -3: X=0.87500000 Y=0.62500000 Z=0.00000000
      -3: X=0.12500000 Y=0.37500000 Z=0.00000000
Hg         NPT=  781  R0=.000005000 RMT= 2.50000     Z:  80.00000              
LOCAL ROT MATRIX:    0.0000000-0.7071068 0.7071068
                     0.0000000 0.7071068 0.7071068
                    -1.0000000 0.0000000 0.0000000