B   LATTICE,NONEQUIV.ATOMS   4   82 I-4                                        
MODE OF CALC=RELA unit=bohr                                                    
 10.506877 10.506877 20.805885 90.000000 90.000000 90.000000                   
ATOM  -1: X=0.00000000 Y=0.00000000 Z=0.50000000
          MULT= 1          ISPLIT=-2
Zn         NPT=  781  R0=.000050000 RMT= 2.42        Z:  30.00000              
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=0.00000000
          MULT= 1          ISPLIT=-2
Al         NPT=  781  R0=.000100000 RMT= 2.16        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  -3: X=0.00000000 Y=0.50000000 Z=0.25000000
          MULT= 1          ISPLIT=-2
Al         NPT=  781  R0=.000100000 RMT= 2.16        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  -4: X=0.25500000 Y=0.22900000 Z=0.13500000
          MULT= 4          ISPLIT= 8
      -4: X=0.22900000 Y=0.74500000 Z=0.86500000
      -4: X=0.74500000 Y=0.77100000 Z=0.13500000
      -4: X=0.77100000 Y=0.25500000 Z=0.86500000
Se         NPT=  781  R0=.000050000 RMT= 2.30        Z:  34.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000