P   LATTICE,NONEQUIV.ATOMS   4   62 Pnma    
MODE OF CALC=RELA unit=bohr
 10.676953 14.909939 10.487980 90.000000 90.000000 90.000000
ATOM  -1: X=0.45600000 Y=0.25000000 Z=0.00600000
          MULT= 4          ISPLIT=15
      -1: X=0.54400000 Y=0.75000000 Z=0.99400000
      -1: X=0.95600000 Y=0.25000000 Z=0.49400000
      -1: X=0.04400000 Y=0.75000000 Z=0.50600000
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=0.00000000 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
Ta         NPT=  781  R0=.000005000 RMT=   2.00000   Z:  73.00000
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -3: X=0.52000000 Y=0.25000000 Z=0.59000000
          MULT= 4          ISPLIT=15
      -3: X=0.48000000 Y=0.75000000 Z=0.41000000
      -3: X=0.02000000 Y=0.25000000 Z=0.91000000
      -3: X=0.98000000 Y=0.75000000 Z=0.09000000
N          NPT=  781  R0=.000100000 RMT=   2.00000   Z:   7.00000
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -4: X=0.20000000 Y=0.04700000 Z=0.30000000
          MULT= 8          ISPLIT=15
      -4: X=0.80000000 Y=0.95300000 Z=0.70000000
      -4: X=0.70000000 Y=0.04700000 Z=0.20000000
      -4: X=0.30000000 Y=0.95300000 Z=0.80000000
      -4: X=0.30000000 Y=0.54700000 Z=0.80000000
      -4: X=0.70000000 Y=0.45300000 Z=0.20000000
      -4: X=0.80000000 Y=0.54700000 Z=0.70000000
      -4: X=0.20000000 Y=0.45300000 Z=0.30000000
N          NPT=  781  R0=.000100000 RMT=   2.00000   Z:   7.00000
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000