B   LATTICE,NONEQUIV.ATOMS   7   82 I-4                                        
MODE OF CALC=RELA unit=bohr                                                    
 22.663863 22.663863 21.139232 90.000000 90.000000 90.000000                   
ATOM  -1: X=0.05988000 Y=0.15706000 Z=0.37916000
          MULT= 4          ISPLIT= 8
      -1: X=0.15706000 Y=0.94012000 Z=0.62084000
      -1: X=0.94012000 Y=0.84294000 Z=0.37916000
      -1: X=0.84294000 Y=0.05988000 Z=0.62084000
Bi         NPT=  781  R0=.000005000 RMT= 2.50000     Z:  83.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -2: X=0.44453000 Y=0.35268000 Z=0.13109000
          MULT= 4          ISPLIT= 8
      -2: X=0.35268000 Y=0.55547000 Z=0.86891000
      -2: X=0.55547000 Y=0.64732000 Z=0.13109000
      -2: X=0.64732000 Y=0.44453000 Z=0.86891000
Se         NPT=  781  R0=.000050000 RMT= 2.46        Z:  34.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -3: X=0.05000000 Y=0.13790000 Z=0.11160000
          MULT= 4          ISPLIT= 8
      -3: X=0.13790000 Y=0.95000000 Z=0.88840000
      -3: X=0.95000000 Y=0.86210000 Z=0.11160000
      -3: X=0.86210000 Y=0.05000000 Z=0.88840000
Cl         NPT=  781  R0=.000100000 RMT= 1.98        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  -4: X=0.31850000 Y=0.20080000 Z=0.38440000
          MULT= 4          ISPLIT= 8
      -4: X=0.20080000 Y=0.68150000 Z=0.61560000
      -4: X=0.68150000 Y=0.79920000 Z=0.38440000
      -4: X=0.79920000 Y=0.31850000 Z=0.61560000
Cl         NPT=  781  R0=.000100000 RMT= 1.98        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  -5: X=0.15070000 Y=0.39170000 Z=0.17730000
          MULT= 4          ISPLIT= 8
      -5: X=0.39170000 Y=0.84930000 Z=0.82270000
      -5: X=0.84930000 Y=0.60830000 Z=0.17730000
      -5: X=0.60830000 Y=0.15070000 Z=0.82270000
Cl         NPT=  781  R0=.000100000 RMT= 1.98        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  -6: X=0.36590000 Y=0.08430000 Z=0.02090000
          MULT= 4          ISPLIT= 8
      -6: X=0.08430000 Y=0.63410000 Z=0.97910000
      -6: X=0.63410000 Y=0.91570000 Z=0.02090000
      -6: X=0.91570000 Y=0.36590000 Z=0.97910000
Cl         NPT=  781  R0=.000100000 RMT= 1.98        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=0.07110000 Y=0.30170000 Z=0.03540000
          MULT= 4          ISPLIT= 8
      -7: X=0.30170000 Y=0.92890000 Z=0.96460000
      -7: X=0.92890000 Y=0.69830000 Z=0.03540000
      -7: X=0.69830000 Y=0.07110000 Z=0.96460000
Al         NPT=  781  R0=.000100000 RMT= 1.98        Z:  13.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000