B   LATTICE,NONEQUIV.ATOMS   7  140 I4/mcm  
MODE OF CALC=RELA unit=bohr
 15.497455 15.497455 61.446335 90.000000 90.000000 90.000000
ATOM  -1: X=0.67140000 Y=0.17140000 Z=0.07300000
          MULT= 8          ISPLIT=15
      -1: X=0.32860000 Y=0.82860000 Z=0.92700000
      -1: X=0.82860000 Y=0.67140000 Z=0.07300000
      -1: X=0.17140000 Y=0.32860000 Z=0.92700000
      -1: X=0.32860000 Y=0.82860000 Z=0.07300000
      -1: X=0.67140000 Y=0.17140000 Z=0.92700000
      -1: X=0.17140000 Y=0.32860000 Z=0.07300000
      -1: X=0.82860000 Y=0.67140000 Z=0.92700000
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=0.66650000 Y=0.16650000 Z=0.20390000
          MULT= 8          ISPLIT=15
      -2: X=0.33350000 Y=0.83350000 Z=0.79610000
      -2: X=0.83350000 Y=0.66650000 Z=0.20390000
      -2: X=0.16650000 Y=0.33350000 Z=0.79610000
      -2: X=0.33350000 Y=0.83350000 Z=0.20390000
      -2: X=0.66650000 Y=0.16650000 Z=0.79610000
      -2: X=0.16650000 Y=0.33350000 Z=0.20390000
      -2: X=0.83350000 Y=0.66650000 Z=0.79610000
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=0.15310000
          MULT= 4          ISPLIT=15
      -3: X=0.00000000 Y=0.00000000 Z=0.84690000
      -3: X=0.00000000 Y=0.00000000 Z=0.65310000
      -3: X=0.00000000 Y=0.00000000 Z=0.34690000
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=0.12160000 Y=0.62160000 Z=0.13510000
          MULT= 8          ISPLIT=15
      -4: X=0.87840000 Y=0.37840000 Z=0.86490000
      -4: X=0.37840000 Y=0.12160000 Z=0.13510000
      -4: X=0.62160000 Y=0.87840000 Z=0.86490000
      -4: X=0.87840000 Y=0.37840000 Z=0.13510000
      -4: X=0.12160000 Y=0.62160000 Z=0.86490000
      -4: X=0.62160000 Y=0.87840000 Z=0.13510000
      -4: X=0.37840000 Y=0.12160000 Z=0.86490000
Ga         NPT=  781  R0=.000050000 RMT=   2.00000   Z:  31.00000
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
Ga         NPT=  781  R0=.000050000 RMT=   2.00000   Z:  31.00000
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=0.05560000
          MULT= 4          ISPLIT=15
      -6: X=0.00000000 Y=0.00000000 Z=0.94440000
      -6: X=0.00000000 Y=0.00000000 Z=0.55560000
      -6: X=0.00000000 Y=0.00000000 Z=0.44440000
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  -7: X=0.14280000 Y=0.64280000 Z=0.00000000
          MULT= 4          ISPLIT=15
      -7: X=0.85720000 Y=0.35720000 Z=0.00000000
      -7: X=0.35720000 Y=0.14280000 Z=0.00000000
      -7: X=0.64280000 Y=0.85720000 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