B   LATTICE,NONEQUIV.ATOMS   6   71 Immm                                       
MODE OF CALC=RELA unit=bohr                                                    
  9.679177 19.016314 27.933932 90.000000 90.000000 90.000000                   
ATOM  -1: X=0.00000000 Y=0.29200000 Z=0.14020000
          MULT= 4          ISPLIT= 8
      -1: X=0.00000000 Y=0.70800000 Z=0.85980000
      -1: X=0.00000000 Y=0.29200000 Z=0.85980000
      -1: X=0.00000000 Y=0.70800000 Z=0.14020000
Hg         NPT=  781  R0=.000005000 RMT= 2.50000     Z:  80.00000              
LOCAL ROT MATRIX:    0.0000000 0.0000000 1.0000000
                     1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
ATOM  -2: X=0.00000000 Y=0.35590000 Z=0.34100000
          MULT= 4          ISPLIT= 8
      -2: X=0.00000000 Y=0.64410000 Z=0.65900000
      -2: X=0.00000000 Y=0.35590000 Z=0.65900000
      -2: X=0.00000000 Y=0.64410000 Z=0.34100000
Hg         NPT=  781  R0=.000005000 RMT= 2.50000     Z:  80.00000              
LOCAL ROT MATRIX:    0.0000000 0.0000000 1.0000000
                     1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
ATOM  -3: X=0.00000000 Y=0.17460000 Z=0.50000000
          MULT= 2          ISPLIT= 8
      -3: X=0.00000000 Y=0.82540000 Z=0.50000000
Hg         NPT=  781  R0=.000005000 RMT= 2.50000     Z:  80.00000              
LOCAL ROT MATRIX:    0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
                     1.0000000 0.0000000 0.0000000
ATOM  -4: X=0.50000000 Y=0.00000000 Z=0.50000000
          MULT= 1          ISPLIT= 8
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  -5: X=0.00000000 Y=0.00000000 Z=0.00000000
          MULT= 1          ISPLIT= 8
K          NPT=  781  R0=.000050000 RMT= 2.50000     Z:  19.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -6: X=0.00000000 Y=0.00000000 Z=0.29100000
          MULT= 2          ISPLIT= 8
      -6: X=0.00000000 Y=0.00000000 Z=0.70900000
K          NPT=  781  R0=.000050000 RMT= 2.50000     Z:  19.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000