P   LATTICE,NONEQUIV.ATOMS   5   62 Pnma                                       
MODE OF CALC=RELA unit=bohr                                                    
 28.442268 15.363473 15.303002 90.000000 90.000000 90.000000                   
ATOM  -1: X=0.35050000 Y=0.25000000 Z=0.05550000
          MULT= 4          ISPLIT= 8
      -1: X=0.64950000 Y=0.75000000 Z=0.94450000
      -1: X=0.85050000 Y=0.25000000 Z=0.44450000
      -1: X=0.14950000 Y=0.75000000 Z=0.55550000
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=0.10230000 Y=0.25000000 Z=0.29980000
          MULT= 4          ISPLIT= 8
      -2: X=0.89770000 Y=0.75000000 Z=0.70020000
      -2: X=0.60230000 Y=0.25000000 Z=0.20020000
      -2: X=0.39770000 Y=0.75000000 Z=0.79980000
Al         NPT=  781  R0=.000100000 RMT= 2.18        Z:  13.00000              
LOCAL ROT MATRIX:    0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
                     1.0000000 0.0000000 0.0000000
ATOM  -3: X=0.46673000 Y=0.25000000 Z=0.38160000
          MULT= 4          ISPLIT= 8
      -3: X=0.53327000 Y=0.75000000 Z=0.61840000
      -3: X=0.96673000 Y=0.25000000 Z=0.11840000
      -3: X=0.03327000 Y=0.75000000 Z=0.88160000
I          NPT=  781  R0=.000010000 RMT= 2.50000     Z:  53.00000              
LOCAL ROT MATRIX:    0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
                     1.0000000 0.0000000 0.0000000
ATOM  -4: X=0.05545000 Y=0.25000000 Z=0.60040000
          MULT= 4          ISPLIT= 8
      -4: X=0.94455000 Y=0.75000000 Z=0.39960000
      -4: X=0.55545000 Y=0.25000000 Z=0.89960000
      -4: X=0.44455000 Y=0.75000000 Z=0.10040000
I          NPT=  781  R0=.000010000 RMT= 2.50000     Z:  53.00000              
LOCAL ROT MATRIX:    0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
                     1.0000000 0.0000000 0.0000000
ATOM  -5: X=0.19913000 Y=0.00107000 Z=0.23833000
          MULT= 8          ISPLIT= 8
      -5: X=0.80087000 Y=0.99893000 Z=0.76167000
      -5: X=0.69913000 Y=0.00107000 Z=0.26167000
      -5: X=0.30087000 Y=0.99893000 Z=0.73833000
      -5: X=0.30087000 Y=0.50107000 Z=0.73833000
      -5: X=0.69913000 Y=0.49893000 Z=0.26167000
      -5: X=0.80087000 Y=0.50107000 Z=0.76167000
      -5: X=0.19913000 Y=0.49893000 Z=0.23833000
I          NPT=  781  R0=.000010000 RMT= 2.50000     Z:  53.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000