B   LATTICE,NONEQUIV.ATOMS   7  140 I4/mcm                                     
MODE OF CALC=RELA unit=bohr                                                    
 21.958618 21.958618 28.081330 90.000000 90.000000 90.000000                   
ATOM  -1: X=0.00000000 Y=0.50000000 Z=0.15100000
          MULT= 4          ISPLIT= 8
      -1: X=0.00000000 Y=0.50000000 Z=0.84900000
      -1: X=0.50000000 Y=0.00000000 Z=0.15100000
      -1: X=0.50000000 Y=0.00000000 Z=0.84900000
Y          NPT=  781  R0=.000010000 RMT= 2.50000     Z:  39.00000              
LOCAL ROT MATRIX:    0.7071068 0.7071068 0.0000000
                    -0.7071068 0.7071068 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -2: X=0.16900000 Y=0.66900000 Z=0.00000000
          MULT= 4          ISPLIT= 8
      -2: X=0.83100000 Y=0.33100000 Z=0.00000000
      -2: X=0.33100000 Y=0.16900000 Z=0.00000000
      -2: X=0.66900000 Y=0.83100000 Z=0.00000000
Y          NPT=  781  R0=.000010000 RMT= 2.50000     Z:  39.00000              
LOCAL ROT MATRIX:    0.0000000-0.7071068 0.7071068
                     0.0000000 0.7071068 0.7071068
                    -1.0000000 0.0000000 0.0000000
ATOM  -3: X=0.06700000 Y=0.20300000 Z=0.13600000
          MULT=16          ISPLIT= 8
      -3: X=0.93300000 Y=0.79700000 Z=0.86400000
      -3: X=0.79700000 Y=0.06700000 Z=0.13600000
      -3: X=0.20300000 Y=0.93300000 Z=0.86400000
      -3: X=0.93300000 Y=0.20300000 Z=0.63600000
      -3: X=0.06700000 Y=0.79700000 Z=0.36400000
      -3: X=0.93300000 Y=0.79700000 Z=0.13600000
      -3: X=0.06700000 Y=0.20300000 Z=0.86400000
      -3: X=0.79700000 Y=0.93300000 Z=0.63600000
      -3: X=0.20300000 Y=0.06700000 Z=0.36400000
      -3: X=0.20300000 Y=0.93300000 Z=0.13600000
      -3: X=0.79700000 Y=0.06700000 Z=0.86400000
      -3: X=0.06700000 Y=0.79700000 Z=0.63600000
      -3: X=0.93300000 Y=0.20300000 Z=0.36400000
      -3: X=0.20300000 Y=0.06700000 Z=0.63600000
      -3: X=0.79700000 Y=0.93300000 Z=0.36400000
Y          NPT=  781  R0=.000010000 RMT= 2.50000     Z:  39.00000              
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=0.25000000
          MULT= 2          ISPLIT=-2
      -4: X=0.00000000 Y=0.00000000 Z=0.75000000
Ga         NPT=  781  R0=.000050000 RMT= 2.50000     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=0.00000000
          MULT= 2          ISPLIT=-2
      -5: X=0.00000000 Y=0.00000000 Z=0.50000000
Ga         NPT=  781  R0=.000050000 RMT= 2.50000     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=0.61600000 Y=0.11600000 Z=0.00000000
          MULT= 4          ISPLIT= 8
      -6: X=0.38400000 Y=0.88400000 Z=0.00000000
      -6: X=0.88400000 Y=0.61600000 Z=0.00000000
      -6: X=0.11600000 Y=0.38400000 Z=0.00000000
Ga         NPT=  781  R0=.000050000 RMT= 2.50000     Z:  31.00000              
LOCAL ROT MATRIX:    0.0000000-0.7071068 0.7071068
                     0.0000000 0.7071068 0.7071068
                    -1.0000000 0.0000000 0.0000000
ATOM  -7: X=0.17800000 Y=0.67800000 Z=0.20100000
          MULT= 8          ISPLIT= 8
      -7: X=0.82200000 Y=0.32200000 Z=0.79900000
      -7: X=0.32200000 Y=0.17800000 Z=0.20100000
      -7: X=0.67800000 Y=0.82200000 Z=0.79900000
      -7: X=0.82200000 Y=0.32200000 Z=0.20100000
      -7: X=0.17800000 Y=0.67800000 Z=0.79900000
      -7: X=0.67800000 Y=0.82200000 Z=0.20100000
      -7: X=0.32200000 Y=0.17800000 Z=0.79900000
Ga         NPT=  781  R0=.000050000 RMT= 2.50000     Z:  31.00000              
LOCAL ROT MATRIX:    0.0000000-0.7071068-0.7071068
                     0.0000000-0.7071068 0.7071068
                    -1.0000000 0.0000000 0.0000000