P   LATTICE,NONEQUIV.ATOMS   3   62 Pnma    
MODE OF CALC=RELA unit=bohr
 11.145605  6.803014 12.967301 90.000000 90.000000 90.000000
ATOM  -1: X=0.26100000 Y=0.25000000 Z=0.38900000
          MULT= 4          ISPLIT=15
      -1: X=0.73900000 Y=0.75000000 Z=0.61100000
      -1: X=0.76100000 Y=0.25000000 Z=0.11100000
      -1: X=0.23900000 Y=0.75000000 Z=0.88900000
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=0.16300000 Y=0.25000000 Z=0.05100000
          MULT= 4          ISPLIT=15
      -2: X=0.83700000 Y=0.75000000 Z=0.94900000
      -2: X=0.66300000 Y=0.25000000 Z=0.44900000
      -2: X=0.33700000 Y=0.75000000 Z=0.55100000
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  -3: X=0.38000000 Y=0.25000000 Z=0.73000000
          MULT= 4          ISPLIT=15
      -3: X=0.62000000 Y=0.75000000 Z=0.27000000
      -3: X=0.88000000 Y=0.25000000 Z=0.77000000
      -3: X=0.12000000 Y=0.75000000 Z=0.23000000
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