B   LATTICE,NONEQUIV.ATOMS   7  140 I4/mcm  
MODE OF CALC=RELA unit=bohr
 15.630492 15.630492 62.049158 90.000000 90.000000 90.000000
ATOM  -1: X=0.67194000 Y=0.17194000 Z=0.07155000
          MULT= 8          ISPLIT=15
      -1: X=0.32806000 Y=0.82806000 Z=0.92845000
      -1: X=0.82806000 Y=0.67194000 Z=0.07155000
      -1: X=0.17194000 Y=0.32806000 Z=0.92845000
      -1: X=0.32806000 Y=0.82806000 Z=0.07155000
      -1: X=0.67194000 Y=0.17194000 Z=0.92845000
      -1: X=0.17194000 Y=0.32806000 Z=0.07155000
      -1: X=0.82806000 Y=0.67194000 Z=0.92845000
La         NPT=  781  R0=.000010000 RMT=   2.00000   Z:  57.00000
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -2: X=0.66757000 Y=0.16757000 Z=0.20392000
          MULT= 8          ISPLIT=15
      -2: X=0.33243000 Y=0.83243000 Z=0.79608000
      -2: X=0.83243000 Y=0.66757000 Z=0.20392000
      -2: X=0.16757000 Y=0.33243000 Z=0.79608000
      -2: X=0.33243000 Y=0.83243000 Z=0.20392000
      -2: X=0.66757000 Y=0.16757000 Z=0.79608000
      -2: X=0.16757000 Y=0.33243000 Z=0.20392000
      -2: X=0.83243000 Y=0.66757000 Z=0.79608000
La         NPT=  781  R0=.000010000 RMT=   2.00000   Z:  57.00000
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=0.00000000 Z=0.15183000
          MULT= 4          ISPLIT=15
      -3: X=0.00000000 Y=0.00000000 Z=0.84817000
      -3: X=0.00000000 Y=0.00000000 Z=0.65183000
      -3: X=0.00000000 Y=0.00000000 Z=0.34817000
La         NPT=  781  R0=.000010000 RMT=   2.00000   Z:  57.00000
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=0.05529000
          MULT= 4          ISPLIT=15
      -4: X=0.00000000 Y=0.00000000 Z=0.94471000
      -4: X=0.00000000 Y=0.00000000 Z=0.55529000
      -4: X=0.00000000 Y=0.00000000 Z=0.44471000
Br         NPT=  781  R0=.000050000 RMT=   2.00000   Z:  35.00000
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -5: X=0.14215000 Y=0.64215000 Z=0.00000000
          MULT= 4          ISPLIT=15
      -5: X=0.85785000 Y=0.35785000 Z=0.00000000
      -5: X=0.35785000 Y=0.14215000 Z=0.00000000
      -5: X=0.64215000 Y=0.85785000 Z=0.00000000
Br         NPT=  781  R0=.000050000 RMT=   2.00000   Z:  35.00000
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -6: X=0.11864000 Y=0.61864000 Z=0.13494000
          MULT= 8          ISPLIT=15
      -6: X=0.88136000 Y=0.38136000 Z=0.86506000
      -6: X=0.38136000 Y=0.11864000 Z=0.13494000
      -6: X=0.61864000 Y=0.88136000 Z=0.86506000
      -6: X=0.88136000 Y=0.38136000 Z=0.13494000
      -6: X=0.11864000 Y=0.61864000 Z=0.86506000
      -6: X=0.61864000 Y=0.88136000 Z=0.13494000
      -6: X=0.38136000 Y=0.11864000 Z=0.86506000
Al         NPT=  781  R0=.000100000 RMT=   2.00000   Z:  13.00000
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -7: X=0.00000000 Y=0.00000000 Z=0.25000000
          MULT= 2          ISPLIT=15
      -7: X=0.00000000 Y=0.00000000 Z=0.75000000
Al         NPT=  781  R0=.000100000 RMT=   2.00000   Z:  13.00000
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000