B   LATTICE,NONEQUIV.ATOMS   7   82 I-4                                        
MODE OF CALC=RELA unit=bohr                                                    
 23.191853 23.191853 21.643978 90.000000 90.000000 90.000000                   
ATOM  -1: X=0.05723000 Y=0.16297000 Z=0.37576000
          MULT= 4          ISPLIT= 8
      -1: X=0.16297000 Y=0.94277000 Z=0.62424000
      -1: X=0.94277000 Y=0.83703000 Z=0.37576000
      -1: X=0.83703000 Y=0.05723000 Z=0.62424000
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=0.44485000 Y=0.34293000 Z=0.13905000
          MULT= 4          ISPLIT= 8
      -2: X=0.34293000 Y=0.55515000 Z=0.86095000
      -2: X=0.55515000 Y=0.65707000 Z=0.13905000
      -2: X=0.65707000 Y=0.44485000 Z=0.86095000
Te         NPT=  781  R0=.000010000 RMT= 2.50000     Z:  52.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -3: X=0.04770000 Y=0.13880000 Z=0.11100000
          MULT= 4          ISPLIT= 8
      -3: X=0.13880000 Y=0.95230000 Z=0.88900000
      -3: X=0.95230000 Y=0.86120000 Z=0.11100000
      -3: X=0.86120000 Y=0.04770000 Z=0.88900000
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=0.31670000 Y=0.20370000 Z=0.39550000
          MULT= 4          ISPLIT= 8
      -4: X=0.20370000 Y=0.68330000 Z=0.60450000
      -4: X=0.68330000 Y=0.79630000 Z=0.39550000
      -4: X=0.79630000 Y=0.31670000 Z=0.60450000
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=0.14640000 Y=0.38780000 Z=0.17910000
          MULT= 4          ISPLIT= 8
      -5: X=0.38780000 Y=0.85360000 Z=0.82090000
      -5: X=0.85360000 Y=0.61220000 Z=0.17910000
      -5: X=0.61220000 Y=0.14640000 Z=0.82090000
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=0.36500000 Y=0.07760000 Z=0.01800000
          MULT= 4          ISPLIT= 8
      -6: X=0.07760000 Y=0.63500000 Z=0.98200000
      -6: X=0.63500000 Y=0.92240000 Z=0.01800000
      -6: X=0.92240000 Y=0.36500000 Z=0.98200000
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=0.07170000 Y=0.29960000 Z=0.03880000
          MULT= 4          ISPLIT= 8
      -7: X=0.29960000 Y=0.92830000 Z=0.96120000
      -7: X=0.92830000 Y=0.70040000 Z=0.03880000
      -7: X=0.70040000 Y=0.07170000 Z=0.96120000
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