B   LATTICE,NONEQUIV.ATOMS   8   82 I-4                                        
MODE OF CALC=RELA unit=bohr                                                    
 16.358792 16.358792 16.776611 90.000000 90.000000 90.000000                   
ATOM  -1: X=0.00000000 Y=0.00000000 Z=0.00000000
          MULT= 1          ISPLIT=-2
Al         NPT=  781  R0=.000100000 RMT= 1.60        Z:  13.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -2: X=0.00000000 Y=0.00000000 Z=0.50000000
          MULT= 1          ISPLIT=-2
Be         NPT=  781  R0=.000100000 RMT= 1.42        Z:   4.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -3: X=0.24590000 Y=0.01240000 Z=0.25510000
          MULT= 4          ISPLIT= 8
      -3: X=0.01240000 Y=0.75410000 Z=0.74490000
      -3: X=0.75410000 Y=0.98760000 Z=0.25510000
      -3: X=0.98760000 Y=0.24590000 Z=0.74490000
Si         NPT=  781  R0=.000100000 RMT= 1.36        Z:  14.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -4: X=0.36280000 Y=0.15010000 Z=0.30460000
          MULT= 4          ISPLIT= 8
      -4: X=0.15010000 Y=0.63720000 Z=0.69540000
      -4: X=0.63720000 Y=0.84990000 Z=0.30460000
      -4: X=0.84990000 Y=0.36280000 Z=0.69540000
O          NPT=  781  R0=.000100000 RMT= 1.58        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=0.46570000 Y=0.34360000 Z=0.09850000
          MULT= 4          ISPLIT= 8
      -5: X=0.34360000 Y=0.53430000 Z=0.90150000
      -5: X=0.53430000 Y=0.65640000 Z=0.09850000
      -5: X=0.65640000 Y=0.46570000 Z=0.90150000
O          NPT=  781  R0=.000100000 RMT= 1.58        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=0.14470000 Y=0.07090000 Z=0.11080000
          MULT= 4          ISPLIT= 8
      -6: X=0.07090000 Y=0.85530000 Z=0.88920000
      -6: X=0.85530000 Y=0.92910000 Z=0.11080000
      -6: X=0.92910000 Y=0.14470000 Z=0.88920000
O          NPT=  781  R0=.000100000 RMT= 1.58        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  -7: X=0.19760000 Y=0.34050000 Z=0.06730000
          MULT= 4          ISPLIT= 8
      -7: X=0.34050000 Y=0.80240000 Z=0.93270000
      -7: X=0.80240000 Y=0.65950000 Z=0.06730000
      -7: X=0.65950000 Y=0.19760000 Z=0.93270000
Na         NPT=  781  R0=.000100000 RMT= 2.20        Z:  11.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -8: X=0.00000000 Y=0.50000000 Z=0.25000000
          MULT= 1          ISPLIT=-2
Cl         NPT=  781  R0=.000100000 RMT= 2.50000     Z:  17.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000