CXY LATTICE,NONEQUIV.ATOMS   6   64 Cmca                                       
MODE OF CALC=RELA unit=bohr                                                    
 21.856572 25.685158 10.962301 90.000000 90.000000 90.000000                   
ATOM  -1: X=0.25000000 Y=0.31825000 Z=0.25000000
          MULT= 4          ISPLIT= 8
      -1: X=0.75000000 Y=0.68175000 Z=0.75000000
      -1: X=0.25000000 Y=0.81825000 Z=0.25000000
      -1: X=0.75000000 Y=0.18175000 Z=0.75000000
Na         NPT=  781  R0=.000100000 RMT= 2.50000     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=0.17892000 Z=0.21465000
          MULT= 4          ISPLIT= 8
      -2: X=0.00000000 Y=0.82108000 Z=0.78535000
      -2: X=0.00000000 Y=0.67892000 Z=0.28535000
      -2: X=0.00000000 Y=0.32108000 Z=0.71465000
Na         NPT=  781  R0=.000100000 RMT= 2.50000     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=0.36994000 Y=0.00000000 Z=0.00000000
          MULT= 4          ISPLIT= 8
      -3: X=0.63006000 Y=0.00000000 Z=0.00000000
      -3: X=0.36994000 Y=0.50000000 Z=0.50000000
      -3: X=0.63006000 Y=0.50000000 Z=0.50000000
Al         NPT=  781  R0=.000100000 RMT= 2.38        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  -4: X=0.25000000 Y=0.10023000 Z=0.25000000
          MULT= 4          ISPLIT= 8
      -4: X=0.75000000 Y=0.89977000 Z=0.75000000
      -4: X=0.25000000 Y=0.60023000 Z=0.25000000
      -4: X=0.75000000 Y=0.39977000 Z=0.75000000
P          NPT=  781  R0=.000100000 RMT= 2.15        Z:  15.00000              
LOCAL ROT MATRIX:    0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
                     1.0000000 0.0000000 0.0000000
ATOM  -5: X=0.00000000 Y=0.39564000 Z=0.21345000
          MULT= 4          ISPLIT= 8
      -5: X=0.00000000 Y=0.60436000 Z=0.78655000
      -5: X=0.00000000 Y=0.89564000 Z=0.28655000
      -5: X=0.00000000 Y=0.10436000 Z=0.71345000
P          NPT=  781  R0=.000100000 RMT= 2.15        Z:  15.00000              
LOCAL ROT MATRIX:    0.0000000 0.0000000 1.0000000
                     1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
ATOM  -6: X=0.12100000 Y=0.00000000 Z=0.00000000
          MULT= 4          ISPLIT= 8
      -6: X=0.87900000 Y=0.00000000 Z=0.00000000
      -6: X=0.12100000 Y=0.50000000 Z=0.50000000
      -6: X=0.87900000 Y=0.50000000 Z=0.50000000
Li         NPT=  781  R0=.000100000 RMT= 2.22        Z:   3.00000              
LOCAL ROT MATRIX:    0.0000000 0.0000000 1.0000000
                     1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000