P   LATTICE,NONEQUIV.ATOMS   4   62 Pnma                                       
MODE OF CALC=RELA unit=bohr                                                    
  9.925031 13.720357  9.380034 90.000000 90.000000 90.000000                   
ATOM  -1: X=0.07690000 Y=0.25000000 Z=0.47860000
          MULT= 4          ISPLIT= 8
      -1: X=0.92310000 Y=0.75000000 Z=0.52140000
      -1: X=0.57690000 Y=0.25000000 Z=0.02140000
      -1: X=0.42310000 Y=0.75000000 Z=0.97860000
Sc         NPT=  781  R0=.000050000 RMT= 2.07        Z:  21.00000              
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= 1.78        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=0.45780000 Y=0.25000000 Z=0.61810000
          MULT= 4          ISPLIT= 8
      -3: X=0.54220000 Y=0.75000000 Z=0.38190000
      -3: X=0.95780000 Y=0.25000000 Z=0.88190000
      -3: X=0.04220000 Y=0.75000000 Z=0.11810000
O          NPT=  781  R0=.000100000 RMT= 1.78        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=0.30660000 Y=0.06080000 Z=0.18980000
          MULT= 8          ISPLIT= 8
      -4: X=0.69340000 Y=0.93920000 Z=0.81020000
      -4: X=0.80660000 Y=0.06080000 Z=0.31020000
      -4: X=0.19340000 Y=0.93920000 Z=0.68980000
      -4: X=0.19340000 Y=0.56080000 Z=0.68980000
      -4: X=0.80660000 Y=0.43920000 Z=0.31020000
      -4: X=0.69340000 Y=0.56080000 Z=0.81020000
      -4: X=0.30660000 Y=0.43920000 Z=0.18980000
O          NPT=  781  R0=.000100000 RMT= 1.78        Z:   8.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000