P   LATTICE,NONEQUIV.ATOMS   5  221 Pm-3m                                      
MODE OF CALC=RELA unit=bohr                                                    
 18.141371 18.141371 18.141371 90.000000 90.000000 90.000000                   
ATOM  -1: X=0.00000000 Y=0.50000000 Z=0.50000000
          MULT= 3          ISPLIT=-2
      -1: X=0.50000000 Y=0.00000000 Z=0.50000000
      -1: X=0.50000000 Y=0.50000000 Z=0.00000000
Ca         NPT=  781  R0=.000050000 RMT= 2.50000     Z:  20.00000              
LOCAL ROT MATRIX:    0.0000000 0.0000000 1.0000000
                     0.0000000 1.0000000 0.0000000
                    -1.0000000 0.0000000 0.0000000
ATOM   2: X=0.00000000 Y=0.00000000 Z=0.00000000
          MULT= 1          ISPLIT= 2
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=0.34500000 Y=0.34500000 Z=0.34500000
          MULT= 8          ISPLIT= 4
      -3: X=0.65500000 Y=0.65500000 Z=0.65500000
      -3: X=0.65500000 Y=0.34500000 Z=0.34500000
      -3: X=0.34500000 Y=0.65500000 Z=0.65500000
      -3: X=0.65500000 Y=0.65500000 Z=0.34500000
      -3: X=0.34500000 Y=0.34500000 Z=0.65500000
      -3: X=0.34500000 Y=0.65500000 Z=0.34500000
      -3: X=0.65500000 Y=0.34500000 Z=0.65500000
Hg         NPT=  781  R0=.000005000 RMT= 2.50000     Z:  80.00000              
LOCAL ROT MATRIX:    0.4082483-0.7071068 0.5773503
                     0.4082483 0.7071068 0.5773503
                    -0.8164966 0.0000000 0.5773503
ATOM  -4: X=0.50000000 Y=0.15500000 Z=0.15500000
          MULT=12          ISPLIT= 8
      -4: X=0.50000000 Y=0.84500000 Z=0.84500000
      -4: X=0.84500000 Y=0.50000000 Z=0.15500000
      -4: X=0.15500000 Y=0.50000000 Z=0.84500000
      -4: X=0.15500000 Y=0.50000000 Z=0.15500000
      -4: X=0.84500000 Y=0.50000000 Z=0.84500000
      -4: X=0.50000000 Y=0.84500000 Z=0.15500000
      -4: X=0.50000000 Y=0.15500000 Z=0.84500000
      -4: X=0.15500000 Y=0.84500000 Z=0.50000000
      -4: X=0.84500000 Y=0.15500000 Z=0.50000000
      -4: X=0.15500000 Y=0.15500000 Z=0.50000000
      -4: X=0.84500000 Y=0.84500000 Z=0.50000000
Hg         NPT=  781  R0=.000005000 RMT= 2.50000     Z:  80.00000              
LOCAL ROT MATRIX:    0.0000000 1.0000000 0.0000000
                    -0.7071068 0.0000000 0.7071068
                     0.7071068 0.0000000 0.7071068
ATOM  -5: X=0.00000000 Y=0.22500000 Z=0.22500000
          MULT=12          ISPLIT= 8
      -5: X=0.00000000 Y=0.77500000 Z=0.77500000
      -5: X=0.77500000 Y=0.00000000 Z=0.22500000
      -5: X=0.22500000 Y=0.00000000 Z=0.77500000
      -5: X=0.22500000 Y=0.00000000 Z=0.22500000
      -5: X=0.77500000 Y=0.00000000 Z=0.77500000
      -5: X=0.00000000 Y=0.77500000 Z=0.22500000
      -5: X=0.00000000 Y=0.22500000 Z=0.77500000
      -5: X=0.22500000 Y=0.77500000 Z=0.00000000
      -5: X=0.77500000 Y=0.22500000 Z=0.00000000
      -5: X=0.22500000 Y=0.22500000 Z=0.00000000
      -5: X=0.77500000 Y=0.77500000 Z=0.00000000
Hg         NPT=  781  R0=.000005000 RMT= 2.50000     Z:  80.00000              
LOCAL ROT MATRIX:    0.0000000 1.0000000 0.0000000
                    -0.7071068 0.0000000 0.7071068
                     0.7071068 0.0000000 0.7071068