P   LATTICE,NONEQUIV.ATOMS   3  213 P4132                                      
MODE OF CALC=RELA unit=bohr                                                    
 13.284775 13.284775 13.284775 90.000000 90.000000 90.000000                   
ATOM  -1: X=0.12500000 Y=0.20500000 Z=0.45500000
          MULT=12          ISPLIT= 8
      -1: X=0.04500000 Y=0.87500000 Z=0.70500000
      -1: X=0.62500000 Y=0.29500000 Z=0.54500000
      -1: X=0.45500000 Y=0.12500000 Z=0.20500000
      -1: X=0.37500000 Y=0.79500000 Z=0.95500000
      -1: X=0.95500000 Y=0.37500000 Z=0.79500000
      -1: X=0.87500000 Y=0.70500000 Z=0.04500000
      -1: X=0.54500000 Y=0.62500000 Z=0.29500000
      -1: X=0.70500000 Y=0.04500000 Z=0.87500000
      -1: X=0.20500000 Y=0.45500000 Z=0.12500000
      -1: X=0.79500000 Y=0.95500000 Z=0.37500000
      -1: X=0.29500000 Y=0.54500000 Z=0.62500000
Nb         NPT=  781  R0=.000010000 RMT= 2.22        Z:  41.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 0.7071068 0.7071068
                     0.0000000-0.7071068 0.7071068
ATOM  -2: X=0.07800000 Y=0.07800000 Z=0.07800000
          MULT= 8          ISPLIT= 4
      -2: X=0.17200000 Y=0.82800000 Z=0.32800000
      -2: X=0.57800000 Y=0.42200000 Z=0.92200000
      -2: X=0.42200000 Y=0.92200000 Z=0.57800000
      -2: X=0.82800000 Y=0.32800000 Z=0.17200000
      -2: X=0.32800000 Y=0.17200000 Z=0.82800000
      -2: X=0.92200000 Y=0.57800000 Z=0.42200000
      -2: X=0.67200000 Y=0.67200000 Z=0.67200000
Al         NPT=  781  R0=.000100000 RMT= 2.42        Z:  13.00000              
LOCAL ROT MATRIX:    0.7071068 0.4082483 0.5773503
                    -0.7071068 0.4082483 0.5773503
                     0.0000000-0.8164966 0.5773503
ATOM  -3: X=0.37500000 Y=0.37500000 Z=0.37500000
          MULT= 4          ISPLIT= 4
      -3: X=0.87500000 Y=0.12500000 Z=0.62500000
      -3: X=0.12500000 Y=0.62500000 Z=0.87500000
      -3: X=0.62500000 Y=0.87500000 Z=0.12500000
N          NPT=  781  R0=.000100000 RMT= 1.91        Z:   7.00000              
LOCAL ROT MATRIX:    0.4082483-0.7071068 0.5773503
                     0.4082483 0.7071068 0.5773503
                    -0.8164966 0.0000000 0.5773503