P   LATTICE,NONEQUIV.ATOMS   6   62 Pnma                                       
MODE OF CALC=RELA unit=bohr                                                    
 11.605186 14.148380 20.125583 90.000000 90.000000 90.000000                   
ATOM  -1: X=0.01550000 Y=0.25000000 Z=0.63430000
          MULT= 4          ISPLIT= 8
      -1: X=0.98450000 Y=0.75000000 Z=0.36570000
      -1: X=0.51550000 Y=0.25000000 Z=0.86570000
      -1: X=0.48450000 Y=0.75000000 Z=0.13430000
K          NPT=  781  R0=.000050000 RMT= 2.50000     Z:  19.00000              
LOCAL ROT MATRIX:    0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
                     1.0000000 0.0000000 0.0000000
ATOM  -2: X=0.00000000 Y=0.00000000 Z=0.00000000
          MULT= 4          ISPLIT= 8
      -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
Pd         NPT=  781  R0=.000010000 RMT= 1.94        Z:  46.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -3: X=0.19030000 Y=0.25000000 Z=0.28710000
          MULT= 4          ISPLIT= 8
      -3: X=0.80970000 Y=0.75000000 Z=0.71290000
      -3: X=0.69030000 Y=0.25000000 Z=0.21290000
      -3: X=0.30970000 Y=0.75000000 Z=0.78710000
Pd         NPT=  781  R0=.000010000 RMT= 1.94        Z:  46.00000              
LOCAL ROT MATRIX:    0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
                     1.0000000 0.0000000 0.0000000
ATOM  -4: X=0.54060000 Y=0.25000000 Z=0.59050000
          MULT= 4          ISPLIT= 8
      -4: X=0.45940000 Y=0.75000000 Z=0.40950000
      -4: X=0.04060000 Y=0.25000000 Z=0.90950000
      -4: X=0.95940000 Y=0.75000000 Z=0.09050000
F          NPT=  781  R0=.000100000 RMT= 1.75        Z:   9.00000              
LOCAL ROT MATRIX:    0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
                     1.0000000 0.0000000 0.0000000
ATOM  -5: X=0.18960000 Y=0.06740000 Z=0.41990000
          MULT= 8          ISPLIT= 8
      -5: X=0.81040000 Y=0.93260000 Z=0.58010000
      -5: X=0.68960000 Y=0.06740000 Z=0.08010000
      -5: X=0.31040000 Y=0.93260000 Z=0.91990000
      -5: X=0.31040000 Y=0.56740000 Z=0.91990000
      -5: X=0.68960000 Y=0.43260000 Z=0.08010000
      -5: X=0.81040000 Y=0.56740000 Z=0.58010000
      -5: X=0.18960000 Y=0.43260000 Z=0.41990000
F          NPT=  781  R0=.000100000 RMT= 1.75        Z:   9.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -6: X=0.19620000 Y=0.05820000 Z=0.16140000
          MULT= 8          ISPLIT= 8
      -6: X=0.80380000 Y=0.94180000 Z=0.83860000
      -6: X=0.69620000 Y=0.05820000 Z=0.33860000
      -6: X=0.30380000 Y=0.94180000 Z=0.66140000
      -6: X=0.30380000 Y=0.55820000 Z=0.66140000
      -6: X=0.69620000 Y=0.44180000 Z=0.33860000
      -6: X=0.80380000 Y=0.55820000 Z=0.83860000
      -6: X=0.19620000 Y=0.44180000 Z=0.16140000
F          NPT=  781  R0=.000100000 RMT= 1.75        Z:   9.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000