P   LATTICE,NONEQUIV.ATOMS   3   62 Pnma    
MODE OF CALC=RELA unit=bohr
 14.416721  8.380935 17.168162 90.000000 90.000000 90.000000
ATOM  -1: X=0.25000000 Y=0.25000000 Z=0.37500000
          MULT= 4          ISPLIT=15
      -1: X=0.75000000 Y=0.75000000 Z=0.62500000
      -1: X=0.75000000 Y=0.25000000 Z=0.12500000
      -1: X=0.25000000 Y=0.75000000 Z=0.87500000
Th         NPT=  781  R0=.000005000 RMT=   2.00000   Z:  90.00000
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -2: X=0.12000000 Y=0.25000000 Z=0.07000000
          MULT= 4          ISPLIT=15
      -2: X=0.88000000 Y=0.75000000 Z=0.93000000
      -2: X=0.62000000 Y=0.25000000 Z=0.43000000
      -2: X=0.38000000 Y=0.75000000 Z=0.57000000
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=0.03000000 Y=0.25000000 Z=0.69000000
          MULT= 4          ISPLIT=15
      -3: X=0.97000000 Y=0.75000000 Z=0.31000000
      -3: X=0.53000000 Y=0.25000000 Z=0.81000000
      -3: X=0.47000000 Y=0.75000000 Z=0.19000000
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