P   LATTICE,NONEQUIV.ATOMS   4   62 Pnma                                       
MODE OF CALC=RELA unit=bohr                                                    
 10.085468 13.932951  9.790671 90.000000 90.000000 90.000000                   
ATOM  -1: X=0.44630000 Y=0.25000000 Z=0.01330000
          MULT= 4          ISPLIT= 8
      -1: X=0.55370000 Y=0.75000000 Z=0.98670000
      -1: X=0.94630000 Y=0.25000000 Z=0.48670000
      -1: X=0.05370000 Y=0.75000000 Z=0.51330000
Y          NPT=  781  R0=.000010000 RMT= 2.25        Z:  39.00000              
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= 4          ISPLIT= 8
      -2: X=0.50000000 Y=0.00000000 Z=0.50000000
      -2: X=0.50000000 Y=0.50000000 Z=0.50000000
      -2: X=0.00000000 Y=0.50000000 Z=0.00000000
Al         NPT=  781  R0=.000100000 RMT= 1.77        Z:  13.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -3: X=0.52060000 Y=0.25000000 Z=0.58040000
          MULT= 4          ISPLIT= 8
      -3: X=0.47940000 Y=0.75000000 Z=0.41960000
      -3: X=0.02060000 Y=0.25000000 Z=0.91960000
      -3: X=0.97940000 Y=0.75000000 Z=0.08040000
O          NPT=  781  R0=.000100000 RMT= 1.77        Z:   8.00000              
LOCAL ROT MATRIX:    0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
                     1.0000000 0.0000000 0.0000000
ATOM  -4: X=0.20420000 Y=0.04250000 Z=0.29150000
          MULT= 8          ISPLIT= 8
      -4: X=0.79580000 Y=0.95750000 Z=0.70850000
      -4: X=0.70420000 Y=0.04250000 Z=0.20850000
      -4: X=0.29580000 Y=0.95750000 Z=0.79150000
      -4: X=0.29580000 Y=0.54250000 Z=0.79150000
      -4: X=0.70420000 Y=0.45750000 Z=0.20850000
      -4: X=0.79580000 Y=0.54250000 Z=0.70850000
      -4: X=0.20420000 Y=0.45750000 Z=0.29150000
O          NPT=  781  R0=.000100000 RMT= 1.77        Z:   8.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000