P   LATTICE,NONEQUIV.ATOMS   7   62 Pnma                                       
MODE OF CALC=RELA unit=bohr                                                    
 16.856357  5.425971 19.493470 90.000000 90.000000 90.000000                   
ATOM  -1: X=0.24240000 Y=0.25000000 Z=0.65615000
          MULT= 4          ISPLIT= 8
      -1: X=0.75760000 Y=0.75000000 Z=0.34385000
      -1: X=0.74240000 Y=0.25000000 Z=0.84385000
      -1: X=0.25760000 Y=0.75000000 Z=0.15615000
Ca         NPT=  781  R0=.000050000 RMT= 2.17        Z:  20.00000              
LOCAL ROT MATRIX:    0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
                     1.0000000 0.0000000 0.0000000
ATOM  -2: X=0.56280000 Y=0.25000000 Z=0.60990000
          MULT= 4          ISPLIT= 8
      -2: X=0.43720000 Y=0.75000000 Z=0.39010000
      -2: X=0.06280000 Y=0.25000000 Z=0.89010000
      -2: X=0.93720000 Y=0.75000000 Z=0.10990000
Al         NPT=  781  R0=.000100000 RMT= 1.75        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=0.08170000 Y=0.25000000 Z=0.39730000
          MULT= 4          ISPLIT= 8
      -3: X=0.91830000 Y=0.75000000 Z=0.60270000
      -3: X=0.58170000 Y=0.25000000 Z=0.10270000
      -3: X=0.41830000 Y=0.75000000 Z=0.89730000
Al         NPT=  781  R0=.000100000 RMT= 1.75        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  -4: X=0.29660000 Y=0.25000000 Z=0.34610000
          MULT= 4          ISPLIT= 8
      -4: X=0.70340000 Y=0.75000000 Z=0.65390000
      -4: X=0.79660000 Y=0.25000000 Z=0.15390000
      -4: X=0.20340000 Y=0.75000000 Z=0.84610000
O          NPT=  781  R0=.000100000 RMT= 1.75        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  -5: X=0.38460000 Y=0.25000000 Z=0.01880000
          MULT= 4          ISPLIT= 8
      -5: X=0.61540000 Y=0.75000000 Z=0.98120000
      -5: X=0.88460000 Y=0.25000000 Z=0.48120000
      -5: X=0.11540000 Y=0.75000000 Z=0.51880000
O          NPT=  781  R0=.000100000 RMT= 1.75        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  -6: X=0.47270000 Y=0.25000000 Z=0.78510000
          MULT= 4          ISPLIT= 8
      -6: X=0.52730000 Y=0.75000000 Z=0.21490000
      -6: X=0.97270000 Y=0.25000000 Z=0.71490000
      -6: X=0.02730000 Y=0.75000000 Z=0.28510000
O          NPT=  781  R0=.000100000 RMT= 1.75        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  -7: X=0.07740000 Y=0.25000000 Z=0.07060000
          MULT= 4          ISPLIT= 8
      -7: X=0.92260000 Y=0.75000000 Z=0.92940000
      -7: X=0.57740000 Y=0.25000000 Z=0.42940000
      -7: X=0.42260000 Y=0.75000000 Z=0.57060000
O          NPT=  781  R0=.000100000 RMT= 1.75        Z:   8.00000              
LOCAL ROT MATRIX:    0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
                     1.0000000 0.0000000 0.0000000