P   LATTICE,NONEQUIV.ATOMS   6   62 Pnma                                       
MODE OF CALC=RELA unit=bohr                                                    
 24.838560 15.310561 13.383040 90.000000 90.000000 90.000000                   
ATOM  -1: X=0.08781000 Y=0.25000000 Z=0.49734000
          MULT= 4          ISPLIT= 8
      -1: X=0.91219000 Y=0.75000000 Z=0.50266000
      -1: X=0.58781000 Y=0.25000000 Z=0.00266000
      -1: X=0.41219000 Y=0.75000000 Z=0.99734000
Cd         NPT=  781  R0=.000010000 RMT= 2.41        Z:  48.00000              
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
Cd         NPT=  781  R0=.000010000 RMT= 2.41        Z:  48.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -3: X=0.25854000 Y=0.25000000 Z=0.00100000
          MULT= 4          ISPLIT= 8
      -3: X=0.74146000 Y=0.75000000 Z=0.99900000
      -3: X=0.75854000 Y=0.25000000 Z=0.49900000
      -3: X=0.24146000 Y=0.75000000 Z=0.50100000
Cd         NPT=  781  R0=.000010000 RMT= 2.41        Z:  48.00000              
LOCAL ROT MATRIX:    0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
                     1.0000000 0.0000000 0.0000000
ATOM  -4: X=0.08218000 Y=0.25000000 Z=0.14361000
          MULT= 4          ISPLIT= 8
      -4: X=0.91782000 Y=0.75000000 Z=0.85639000
      -4: X=0.58218000 Y=0.25000000 Z=0.35639000
      -4: X=0.41782000 Y=0.75000000 Z=0.64361000
As         NPT=  781  R0=.000050000 RMT= 2.29        Z:  33.00000              
LOCAL ROT MATRIX:    0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
                     1.0000000 0.0000000 0.0000000
ATOM  -5: X=0.41790000 Y=0.25000000 Z=0.80740000
          MULT= 4          ISPLIT= 8
      -5: X=0.58210000 Y=0.75000000 Z=0.19260000
      -5: X=0.91790000 Y=0.25000000 Z=0.69260000
      -5: X=0.08210000 Y=0.75000000 Z=0.30740000
Cl         NPT=  781  R0=.000100000 RMT= 2.17        Z:  17.00000              
LOCAL ROT MATRIX:    0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
                     1.0000000 0.0000000 0.0000000
ATOM  -6: X=0.33100000 Y=0.52160000 Z=0.19460000
          MULT= 8          ISPLIT= 8
      -6: X=0.66900000 Y=0.47840000 Z=0.80540000
      -6: X=0.83100000 Y=0.52160000 Z=0.30540000
      -6: X=0.16900000 Y=0.47840000 Z=0.69460000
      -6: X=0.16900000 Y=0.02160000 Z=0.69460000
      -6: X=0.83100000 Y=0.97840000 Z=0.30540000
      -6: X=0.66900000 Y=0.02160000 Z=0.80540000
      -6: X=0.33100000 Y=0.97840000 Z=0.19460000
Cl         NPT=  781  R0=.000100000 RMT= 2.17        Z:  17.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000