B   LATTICE,NONEQUIV.ATOMS   6  107 I4mm                                       
MODE OF CALC=RELA unit=bohr                                                    
 24.122354 24.122354 13.163832 90.000000 90.000000 90.000000                   
ATOM  -1: X=0.18290000 Y=0.00000000 Z=0.06659000
          MULT= 4          ISPLIT= 8
      -1: X=0.00000000 Y=0.18290000 Z=0.06659000
      -1: X=0.81710000 Y=0.00000000 Z=0.06659000
      -1: X=0.00000000 Y=0.81710000 Z=0.06659000
Ta         NPT=  781  R0=.000005000 RMT= 2.38        Z:  73.00000              
LOCAL ROT MATRIX:    0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
                     1.0000000 0.0000000 0.0000000
ATOM  -2: X=0.00000000 Y=0.00000000 Z=0.17840000
          MULT= 1          ISPLIT=-2
S          NPT=  781  R0=.000100000 RMT= 1.94        Z:  16.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -3: X=0.19700000 Y=0.19700000 Z=0.06990000
          MULT= 4          ISPLIT= 8
      -3: X=0.80300000 Y=0.19700000 Z=0.06990000
      -3: X=0.80300000 Y=0.80300000 Z=0.06990000
      -3: X=0.19700000 Y=0.80300000 Z=0.06990000
S          NPT=  781  R0=.000100000 RMT= 1.94        Z:  16.00000              
LOCAL ROT MATRIX:    0.0000000-0.7071068-0.7071068
                     0.0000000-0.7071068 0.7071068
                    -1.0000000 0.0000000 0.0000000
ATOM  -4: X=0.36520000 Y=0.36520000 Z=0.32160000
          MULT= 4          ISPLIT= 8
      -4: X=0.63480000 Y=0.36520000 Z=0.32160000
      -4: X=0.63480000 Y=0.63480000 Z=0.32160000
      -4: X=0.36520000 Y=0.63480000 Z=0.32160000
S          NPT=  781  R0=.000100000 RMT= 1.94        Z:  16.00000              
LOCAL ROT MATRIX:    0.0000000-0.7071068-0.7071068
                     0.0000000-0.7071068 0.7071068
                    -1.0000000 0.0000000 0.0000000
ATOM  -5: X=0.23194000 Y=0.00000000 Z=0.41150000
          MULT= 4          ISPLIT= 8
      -5: X=0.00000000 Y=0.23194000 Z=0.41150000
      -5: X=0.76806000 Y=0.00000000 Z=0.41150000
      -5: X=0.00000000 Y=0.76806000 Z=0.41150000
Br         NPT=  781  R0=.000050000 RMT= 2.26        Z:  35.00000              
LOCAL ROT MATRIX:    0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
                     1.0000000 0.0000000 0.0000000
ATOM  -6: X=0.36009000 Y=0.00000000 Z=0.92380000
          MULT= 4          ISPLIT= 8
      -6: X=0.00000000 Y=0.36009000 Z=0.92380000
      -6: X=0.63991000 Y=0.00000000 Z=0.92380000
      -6: X=0.00000000 Y=0.63991000 Z=0.92380000
Br         NPT=  781  R0=.000050000 RMT= 2.26        Z:  35.00000              
LOCAL ROT MATRIX:    0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
                     1.0000000 0.0000000 0.0000000