B   LATTICE,NONEQUIV.ATOMS   6   87 I4/m                                       
MODE OF CALC=RELA unit=bohr                                                    
 22.304438 22.304438 20.435498 90.000000 90.000000 90.000000                   
ATOM  -1: X=0.20270000 Y=0.38520000 Z=0.13940000
          MULT= 8          ISPLIT= 8
      -1: X=0.79730000 Y=0.61480000 Z=0.86060000
      -1: X=0.61480000 Y=0.20270000 Z=0.13940000
      -1: X=0.38520000 Y=0.79730000 Z=0.86060000
      -1: X=0.79730000 Y=0.61480000 Z=0.13940000
      -1: X=0.20270000 Y=0.38520000 Z=0.86060000
      -1: X=0.38520000 Y=0.79730000 Z=0.13940000
      -1: X=0.61480000 Y=0.20270000 Z=0.86060000
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  -2: X=0.00000000 Y=0.50000000 Z=0.25000000
          MULT= 2          ISPLIT=-2
      -2: X=0.00000000 Y=0.50000000 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  -3: X=0.07950000 Y=0.17260000 Z=0.21800000
          MULT= 8          ISPLIT= 8
      -3: X=0.92050000 Y=0.82740000 Z=0.78200000
      -3: X=0.82740000 Y=0.07950000 Z=0.21800000
      -3: X=0.17260000 Y=0.92050000 Z=0.78200000
      -3: X=0.92050000 Y=0.82740000 Z=0.21800000
      -3: X=0.07950000 Y=0.17260000 Z=0.78200000
      -3: X=0.17260000 Y=0.92050000 Z=0.21800000
      -3: X=0.82740000 Y=0.07950000 Z=0.78200000
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=0.00000000 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  -5: X=0.32540000 Y=0.11910000 Z=0.00000000
          MULT= 4          ISPLIT= 8
      -5: X=0.67460000 Y=0.88090000 Z=0.00000000
      -5: X=0.88090000 Y=0.32540000 Z=0.00000000
      -5: X=0.11910000 Y=0.67460000 Z=0.00000000
Cs         NPT=  781  R0=.000010000 RMT= 2.50000     Z:  55.00000              
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=0.50000000
          MULT= 1          ISPLIT=-2
Cs         NPT=  781  R0=.000010000 RMT= 2.50000     Z:  55.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000