B   LATTICE,NONEQUIV.ATOMS   7  140 I4/mcm  
MODE OF CALC=RELA unit=bohr
 15.206437 15.206437 60.560053 90.000000 90.000000 90.000000
ATOM  -1: X=0.67450000 Y=0.17450000 Z=0.06890000
          MULT= 8          ISPLIT=15
      -1: X=0.32550000 Y=0.82550000 Z=0.93110000
      -1: X=0.82550000 Y=0.67450000 Z=0.06890000
      -1: X=0.17450000 Y=0.32550000 Z=0.93110000
      -1: X=0.32550000 Y=0.82550000 Z=0.06890000
      -1: X=0.67450000 Y=0.17450000 Z=0.93110000
      -1: X=0.17450000 Y=0.32550000 Z=0.06890000
      -1: X=0.82550000 Y=0.67450000 Z=0.93110000
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=0.66680000 Y=0.16680000 Z=0.20280000
          MULT= 8          ISPLIT=15
      -2: X=0.33320000 Y=0.83320000 Z=0.79720000
      -2: X=0.83320000 Y=0.66680000 Z=0.20280000
      -2: X=0.16680000 Y=0.33320000 Z=0.79720000
      -2: X=0.33320000 Y=0.83320000 Z=0.20280000
      -2: X=0.66680000 Y=0.16680000 Z=0.79720000
      -2: X=0.16680000 Y=0.33320000 Z=0.20280000
      -2: X=0.83320000 Y=0.66680000 Z=0.79720000
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=0.15040000
          MULT= 4          ISPLIT=15
      -3: X=0.00000000 Y=0.00000000 Z=0.84960000
      -3: X=0.00000000 Y=0.00000000 Z=0.65040000
      -3: X=0.00000000 Y=0.00000000 Z=0.34960000
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=0.11990000 Y=0.61990000 Z=0.13210000
          MULT= 8          ISPLIT=15
      -4: X=0.88010000 Y=0.38010000 Z=0.86790000
      -4: X=0.38010000 Y=0.11990000 Z=0.13210000
      -4: X=0.61990000 Y=0.88010000 Z=0.86790000
      -4: X=0.88010000 Y=0.38010000 Z=0.13210000
      -4: X=0.11990000 Y=0.61990000 Z=0.86790000
      -4: X=0.61990000 Y=0.88010000 Z=0.13210000
      -4: X=0.38010000 Y=0.11990000 Z=0.86790000
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=0.05430000
          MULT= 4          ISPLIT=15
      -6: X=0.00000000 Y=0.00000000 Z=0.94570000
      -6: X=0.00000000 Y=0.00000000 Z=0.55430000
      -6: X=0.00000000 Y=0.00000000 Z=0.44570000
Cl         NPT=  781  R0=.000100000 RMT=   2.00000   Z:  17.00000
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -7: X=0.13950000 Y=0.63950000 Z=0.00000000
          MULT= 4          ISPLIT=15
      -7: X=0.86050000 Y=0.36050000 Z=0.00000000
      -7: X=0.36050000 Y=0.13950000 Z=0.00000000
      -7: X=0.63950000 Y=0.86050000 Z=0.00000000
Cl         NPT=  781  R0=.000100000 RMT=   2.00000   Z:  17.00000
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000