B   LATTICE,NONEQUIV.ATOMS   7   74 Imma                                       
MODE OF CALC=RELA unit=bohr                                                    
 13.401938 19.071116 13.864921 90.000000 90.000000 90.000000                   
ATOM  -1: X=0.25000000 Y=0.25000000 Z=0.75000000
          MULT= 2          ISPLIT= 8
      -1: X=0.25000000 Y=0.75000000 Z=0.25000000
Na         NPT=  781  R0=.000100000 RMT= 2.02        Z:  11.00000              
LOCAL ROT MATRIX:    0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
                     1.0000000 0.0000000 0.0000000
ATOM  -2: X=0.00000000 Y=0.00000000 Z=0.00000000
          MULT= 2          ISPLIT= 8
      -2: X=0.00000000 Y=0.50000000 Z=0.00000000
Na         NPT=  781  R0=.000100000 RMT= 2.02        Z:  11.00000              
LOCAL ROT MATRIX:    0.0000000 0.0000000 1.0000000
                     1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
ATOM  -3: X=0.25000000 Y=0.25000000 Z=0.25000000
          MULT= 2          ISPLIT= 8
      -3: X=0.25000000 Y=0.75000000 Z=0.75000000
Zn         NPT=  781  R0=.000050000 RMT= 1.95        Z:  30.00000              
LOCAL ROT MATRIX:    0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
                     1.0000000 0.0000000 0.0000000
ATOM  -4: X=0.00000000 Y=0.00000000 Z=0.50000000
          MULT= 2          ISPLIT= 8
      -4: X=0.00000000 Y=0.50000000 Z=0.50000000
Al         NPT=  781  R0=.000100000 RMT= 1.64        Z:  13.00000              
LOCAL ROT MATRIX:    0.0000000 0.0000000 1.0000000
                     1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
ATOM  -5: X=0.00000000 Y=0.25000000 Z=0.12990000
          MULT= 2          ISPLIT= 8
      -5: X=0.00000000 Y=0.75000000 Z=0.87010000
F          NPT=  781  R0=.000100000 RMT= 1.73        Z:   9.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -6: X=0.00000000 Y=0.58170000 Z=0.27930000
          MULT= 4          ISPLIT= 8
      -6: X=0.00000000 Y=0.41830000 Z=0.72070000
      -6: X=0.00000000 Y=0.08170000 Z=0.72070000
      -6: X=0.00000000 Y=0.91830000 Z=0.27930000
F          NPT=  781  R0=.000100000 RMT= 1.73        Z:   9.00000              
LOCAL ROT MATRIX:    0.0000000 0.0000000 1.0000000
                     1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
ATOM  -7: X=0.31660000 Y=0.11230000 Z=0.06630000
          MULT= 8          ISPLIT= 8
      -7: X=0.68340000 Y=0.88770000 Z=0.93370000
      -7: X=0.31660000 Y=0.61230000 Z=0.93370000
      -7: X=0.68340000 Y=0.38770000 Z=0.06630000
      -7: X=0.68340000 Y=0.11230000 Z=0.06630000
      -7: X=0.31660000 Y=0.88770000 Z=0.93370000
      -7: X=0.68340000 Y=0.61230000 Z=0.93370000
      -7: X=0.31660000 Y=0.38770000 Z=0.06630000
F          NPT=  781  R0=.000100000 RMT= 1.73        Z:   9.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000