B   LATTICE,NONEQUIV.ATOMS   7  140 I4/mcm  
MODE OF CALC=RELA unit=bohr
 29.474814 29.474814 16.654156 90.000000 90.000000 90.000000
ATOM  -1: X=0.16558000 Y=0.66558000 Z=0.19423000
          MULT= 8          ISPLIT=15
      -1: X=0.83442000 Y=0.33442000 Z=0.80577000
      -1: X=0.33442000 Y=0.16558000 Z=0.19423000
      -1: X=0.66558000 Y=0.83442000 Z=0.80577000
      -1: X=0.83442000 Y=0.33442000 Z=0.19423000
      -1: X=0.16558000 Y=0.66558000 Z=0.80577000
      -1: X=0.66558000 Y=0.83442000 Z=0.19423000
      -1: X=0.33442000 Y=0.16558000 Z=0.80577000
Lu         NPT=  781  R0=.000010000 RMT=   2.00000   Z:  71.00000
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -2: X=0.01729000 Y=0.33495000 Z=0.00000000
          MULT= 8          ISPLIT=15
      -2: X=0.98271000 Y=0.66505000 Z=0.00000000
      -2: X=0.66505000 Y=0.01729000 Z=0.00000000
      -2: X=0.33495000 Y=0.98271000 Z=0.00000000
      -2: X=0.98271000 Y=0.33495000 Z=0.50000000
      -2: X=0.01729000 Y=0.66505000 Z=0.50000000
      -2: X=0.66505000 Y=0.98271000 Z=0.50000000
      -2: X=0.33495000 Y=0.01729000 Z=0.50000000
Lu         NPT=  781  R0=.000010000 RMT=   2.00000   Z:  71.00000
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -3: X=0.00000000 Y=0.50000000 Z=0.25000000
          MULT= 2          ISPLIT=15
      -3: X=0.00000000 Y=0.50000000 Z=0.75000000
Lu         NPT=  781  R0=.000010000 RMT=   2.00000   Z:  71.00000
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -4: X=0.12355000 Y=0.11670000 Z=0.00000000
          MULT= 8          ISPLIT=15
      -4: X=0.87645000 Y=0.88330000 Z=0.00000000
      -4: X=0.88330000 Y=0.12355000 Z=0.00000000
      -4: X=0.11670000 Y=0.87645000 Z=0.00000000
      -4: X=0.87645000 Y=0.11670000 Z=0.50000000
      -4: X=0.12355000 Y=0.88330000 Z=0.50000000
      -4: X=0.88330000 Y=0.87645000 Z=0.50000000
      -4: X=0.11670000 Y=0.12355000 Z=0.50000000
Lu         NPT=  781  R0=.000010000 RMT=   2.00000   Z:  71.00000
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=0.25000000
          MULT= 2          ISPLIT=15
      -5: X=0.00000000 Y=0.00000000 Z=0.75000000
Lu         NPT=  781  R0=.000010000 RMT=   2.00000   Z:  71.00000
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -6: X=0.71945000 Y=0.21945000 Z=0.00000000
          MULT= 4          ISPLIT=15
      -6: X=0.28055000 Y=0.78055000 Z=0.00000000
      -6: X=0.78055000 Y=0.71945000 Z=0.00000000
      -6: X=0.21945000 Y=0.28055000 Z=0.00000000
Sb         NPT=  781  R0=.000010000 RMT=   2.00000   Z:  51.00000
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -7: X=0.19752000 Y=0.00000000 Z=0.25000000
          MULT= 8          ISPLIT=15
      -7: X=0.80248000 Y=0.00000000 Z=0.75000000
      -7: X=0.00000000 Y=0.19752000 Z=0.25000000
      -7: X=0.00000000 Y=0.80248000 Z=0.75000000
      -7: X=0.80248000 Y=0.00000000 Z=0.25000000
      -7: X=0.19752000 Y=0.00000000 Z=0.75000000
      -7: X=0.00000000 Y=0.80248000 Z=0.25000000
      -7: X=0.00000000 Y=0.19752000 Z=0.75000000
Sb         NPT=  781  R0=.000010000 RMT=   2.00000   Z:  51.00000
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000