B   LATTICE,NONEQUIV.ATOMS   7   82 I-4                                        
MODE OF CALC=RELA unit=bohr                                                    
 17.531745 17.531745 11.555486 90.000000 90.000000 90.000000                   
ATOM  -1: X=0.00000000 Y=0.00000000 Z=0.00000000
          MULT= 1          ISPLIT=-2
Ga         NPT=  781  R0=.000050000 RMT= 1.86        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  -2: X=0.03780000 Y=0.17140000 Z=0.15620000
          MULT= 4          ISPLIT= 8
      -2: X=0.17140000 Y=0.96220000 Z=0.84380000
      -2: X=0.96220000 Y=0.82860000 Z=0.15620000
      -2: X=0.82860000 Y=0.03780000 Z=0.84380000
O          NPT=  781  R0=.000100000 RMT= 1.07        Z:   8.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -3: X=0.15110000 Y=0.15750000 Z=0.28500000
          MULT= 4          ISPLIT= 8
      -3: X=0.15750000 Y=0.84890000 Z=0.71500000
      -3: X=0.84890000 Y=0.84250000 Z=0.28500000
      -3: X=0.84250000 Y=0.15110000 Z=0.71500000
N          NPT=  781  R0=.000100000 RMT= 1.02        Z:   7.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -4: X=0.19030000 Y=0.26550000 Z=0.37870000
          MULT= 4          ISPLIT= 8
      -4: X=0.26550000 Y=0.80970000 Z=0.62130000
      -4: X=0.80970000 Y=0.73450000 Z=0.37870000
      -4: X=0.73450000 Y=0.19030000 Z=0.62130000
O          NPT=  781  R0=.000100000 RMT= 1.07        Z:   8.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -5: X=0.20560000 Y=0.03870000 Z=0.29770000
          MULT= 4          ISPLIT= 8
      -5: X=0.03870000 Y=0.79440000 Z=0.70230000
      -5: X=0.79440000 Y=0.96130000 Z=0.29770000
      -5: X=0.96130000 Y=0.20560000 Z=0.70230000
O          NPT=  781  R0=.000100000 RMT= 1.07        Z:   8.00000              
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=0.50000000 Z=0.25000000
          MULT= 1          ISPLIT=-2
N          NPT=  781  R0=.000100000 RMT= 1.02        Z:   7.00000              
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=0.50000000 Z=0.06820000
          MULT= 2          ISPLIT= 8
      -7: X=0.50000000 Y=0.00000000 Z=0.93180000
O          NPT=  781  R0=.000100000 RMT= 1.07        Z:   8.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000