B   LATTICE,NONEQUIV.ATOMS   7   82 I-4                                        
MODE OF CALC=RELA unit=bohr                                                    
 22.329004 22.329004 20.876749 90.000000 90.000000 90.000000                   
ATOM  -1: X=0.06115000 Y=0.15446000 Z=0.38111000
          MULT= 4          ISPLIT= 8
      -1: X=0.15446000 Y=0.93885000 Z=0.61889000
      -1: X=0.93885000 Y=0.84554000 Z=0.38111000
      -1: X=0.84554000 Y=0.06115000 Z=0.61889000
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=0.44590000 Y=0.35970000 Z=0.12460000
          MULT= 4          ISPLIT= 8
      -2: X=0.35970000 Y=0.55410000 Z=0.87540000
      -2: X=0.55410000 Y=0.64030000 Z=0.12460000
      -2: X=0.64030000 Y=0.44590000 Z=0.87540000
S          NPT=  781  R0=.000100000 RMT= 2.17        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=0.04990000 Y=0.13630000 Z=0.11320000
          MULT= 4          ISPLIT= 8
      -3: X=0.13630000 Y=0.95010000 Z=0.88680000
      -3: X=0.95010000 Y=0.86370000 Z=0.11320000
      -3: X=0.86370000 Y=0.04990000 Z=0.88680000
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=0.31980000 Y=0.19850000 Z=0.38040000
          MULT= 4          ISPLIT= 8
      -4: X=0.19850000 Y=0.68020000 Z=0.61960000
      -4: X=0.68020000 Y=0.80150000 Z=0.38040000
      -4: X=0.80150000 Y=0.31980000 Z=0.61960000
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=0.15340000 Y=0.39300000 Z=0.17790000
          MULT= 4          ISPLIT= 8
      -5: X=0.39300000 Y=0.84660000 Z=0.82210000
      -5: X=0.84660000 Y=0.60700000 Z=0.17790000
      -5: X=0.60700000 Y=0.15340000 Z=0.82210000
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=0.36730000 Y=0.08830000 Z=0.02150000
          MULT= 4          ISPLIT= 8
      -6: X=0.08830000 Y=0.63270000 Z=0.97850000
      -6: X=0.63270000 Y=0.91170000 Z=0.02150000
      -6: X=0.91170000 Y=0.36730000 Z=0.97850000
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=0.07010000 Y=0.30280000 Z=0.03350000
          MULT= 4          ISPLIT= 8
      -7: X=0.30280000 Y=0.92990000 Z=0.96650000
      -7: X=0.92990000 Y=0.69720000 Z=0.03350000
      -7: X=0.69720000 Y=0.07010000 Z=0.96650000
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