P   LATTICE,NONEQUIV.ATOMS   3   62 Pnma    
MODE OF CALC=RELA unit=bohr
 13.847913  7.874489 16.244086 90.000000 90.000000 90.000000
ATOM  -1: X=0.26879000 Y=0.25000000 Z=0.37287000
          MULT= 4          ISPLIT=15
      -1: X=0.73121000 Y=0.75000000 Z=0.62713000
      -1: X=0.76879000 Y=0.25000000 Z=0.12713000
      -1: X=0.23121000 Y=0.75000000 Z=0.87287000
U          NPT=  781  R0=.000005000 RMT=   2.00000   Z:  92.00000
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -2: X=0.03260000 Y=0.25000000 Z=0.66360000
          MULT= 4          ISPLIT=15
      -2: X=0.96740000 Y=0.75000000 Z=0.33640000
      -2: X=0.53260000 Y=0.25000000 Z=0.83640000
      -2: X=0.46740000 Y=0.75000000 Z=0.16360000
Se         NPT=  781  R0=.000050000 RMT=   2.00000   Z:  34.00000
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -3: X=0.14300000 Y=0.25000000 Z=0.06860000
          MULT= 4          ISPLIT=15
      -3: X=0.85700000 Y=0.75000000 Z=0.93140000
      -3: X=0.64300000 Y=0.25000000 Z=0.43140000
      -3: X=0.35700000 Y=0.75000000 Z=0.56860000
S          NPT=  781  R0=.000100000 RMT=   2.00000   Z:  16.00000
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000