B   LATTICE,NONEQUIV.ATOMS   4  140 I4/mcm                                     
MODE OF CALC=RELA unit=bohr                                                    
 15.474967 15.474967 27.780864 90.000000 90.000000 90.000000                   
ATOM  -1: X=0.00000000 Y=0.00000000 Z=0.00000000
          MULT= 2          ISPLIT=-2
      -1: X=0.00000000 Y=0.00000000 Z=0.50000000
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=0.16450000 Y=0.66450000 Z=0.14670000
          MULT= 8          ISPLIT= 8
      -2: X=0.83550000 Y=0.33550000 Z=0.85330000
      -2: X=0.33550000 Y=0.16450000 Z=0.14670000
      -2: X=0.66450000 Y=0.83550000 Z=0.85330000
      -2: X=0.83550000 Y=0.33550000 Z=0.14670000
      -2: X=0.16450000 Y=0.66450000 Z=0.85330000
      -2: X=0.66450000 Y=0.83550000 Z=0.14670000
      -2: X=0.33550000 Y=0.16450000 Z=0.85330000
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=0.00000000 Y=0.00000000 Z=0.25000000
          MULT= 2          ISPLIT=-2
      -3: X=0.00000000 Y=0.00000000 Z=0.75000000
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  -4: X=0.63230000 Y=0.13230000 Z=0.00000000
          MULT= 4          ISPLIT= 8
      -4: X=0.36770000 Y=0.86770000 Z=0.00000000
      -4: X=0.86770000 Y=0.63230000 Z=0.00000000
      -4: X=0.13230000 Y=0.36770000 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