P   LATTICE,NONEQUIV.ATOMS   4   62 Pnma    
MODE OF CALC=RELA unit=bohr
 10.942837 15.296388 10.734211 90.000000 90.000000 90.000000
ATOM  -1: X=0.45720000 Y=0.25000000 Z=0.01000000
          MULT= 4          ISPLIT=15
      -1: X=0.54280000 Y=0.75000000 Z=0.99000000
      -1: X=0.95720000 Y=0.25000000 Z=0.49000000
      -1: X=0.04280000 Y=0.75000000 Z=0.51000000
La         NPT=  781  R0=.000010000 RMT=   2.00000   Z:  57.00000
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -2: X=0.00000000 Y=0.00000000 Z=0.00000000
          MULT= 4          ISPLIT=15
      -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
Sc         NPT=  781  R0=.000050000 RMT=   2.00000   Z:  21.00000
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -3: X=0.52770000 Y=0.25000000 Z=0.59680000
          MULT= 4          ISPLIT=15
      -3: X=0.47230000 Y=0.75000000 Z=0.40320000
      -3: X=0.02770000 Y=0.25000000 Z=0.90320000
      -3: X=0.97230000 Y=0.75000000 Z=0.09680000
O          NPT=  781  R0=.000100000 RMT=   2.00000   Z:   8.00000
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -4: X=0.20420000 Y=0.05210000 Z=0.29270000
          MULT= 8          ISPLIT=15
      -4: X=0.79580000 Y=0.94790000 Z=0.70730000
      -4: X=0.70420000 Y=0.05210000 Z=0.20730000
      -4: X=0.29580000 Y=0.94790000 Z=0.79270000
      -4: X=0.29580000 Y=0.55210000 Z=0.79270000
      -4: X=0.70420000 Y=0.44790000 Z=0.20730000
      -4: X=0.79580000 Y=0.55210000 Z=0.70730000
      -4: X=0.20420000 Y=0.44790000 Z=0.29270000
O          NPT=  781  R0=.000100000 RMT=   2.00000   Z:   8.00000
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000