P   LATTICE,NONEQUIV.ATOMS   3  213 P4132                                      
MODE OF CALC=RELA unit=bohr                                                    
 12.974860 12.974860 12.974860 90.000000 90.000000 90.000000                   
ATOM  -1: X=0.12500000 Y=0.20600000 Z=0.45600000
          MULT=12          ISPLIT= 8
      -1: X=0.04400000 Y=0.87500000 Z=0.70600000
      -1: X=0.62500000 Y=0.29400000 Z=0.54400000
      -1: X=0.45600000 Y=0.12500000 Z=0.20600000
      -1: X=0.37500000 Y=0.79400000 Z=0.95600000
      -1: X=0.95600000 Y=0.37500000 Z=0.79400000
      -1: X=0.87500000 Y=0.70600000 Z=0.04400000
      -1: X=0.54400000 Y=0.62500000 Z=0.29400000
      -1: X=0.70600000 Y=0.04400000 Z=0.87500000
      -1: X=0.20600000 Y=0.45600000 Z=0.12500000
      -1: X=0.79400000 Y=0.95600000 Z=0.37500000
      -1: X=0.29400000 Y=0.54400000 Z=0.62500000
Mo         NPT=  781  R0=.000010000 RMT= 2.22        Z:  42.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 0.7071068 0.7071068
                     0.0000000-0.7071068 0.7071068
ATOM  -2: X=0.06100000 Y=0.06100000 Z=0.06100000
          MULT= 8          ISPLIT= 4
      -2: X=0.18900000 Y=0.81100000 Z=0.31100000
      -2: X=0.56100000 Y=0.43900000 Z=0.93900000
      -2: X=0.43900000 Y=0.93900000 Z=0.56100000
      -2: X=0.81100000 Y=0.31100000 Z=0.18900000
      -2: X=0.31100000 Y=0.18900000 Z=0.81100000
      -2: X=0.93900000 Y=0.56100000 Z=0.43900000
      -2: X=0.68900000 Y=0.68900000 Z=0.68900000
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
C          NPT=  781  R0=.000100000 RMT= 1.81        Z:   6.00000              
LOCAL ROT MATRIX:    0.4082483-0.7071068 0.5773503
                     0.4082483 0.7071068 0.5773503
                    -0.8164966 0.0000000 0.5773503