P   LATTICE,NONEQUIV.ATOMS   6   62 Pnma                                       
MODE OF CALC=RELA unit=bohr                                                    
 18.468105 14.225102 25.270741 90.000000 90.000000 90.000000                   
ATOM  -1: X=0.38037000 Y=0.25000000 Z=0.09598000
          MULT= 4          ISPLIT= 8
      -1: X=0.61963000 Y=0.75000000 Z=0.90402000
      -1: X=0.88037000 Y=0.25000000 Z=0.40402000
      -1: X=0.11963000 Y=0.75000000 Z=0.59598000
Cs         NPT=  781  R0=.000010000 RMT= 2.50000     Z:  55.00000              
LOCAL ROT MATRIX:    0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
                     1.0000000 0.0000000 0.0000000
ATOM  -2: X=0.01369000 Y=0.25000000 Z=0.82034000
          MULT= 4          ISPLIT= 8
      -2: X=0.98631000 Y=0.75000000 Z=0.17966000
      -2: X=0.51369000 Y=0.25000000 Z=0.67966000
      -2: X=0.48631000 Y=0.75000000 Z=0.32034000
Cs         NPT=  781  R0=.000010000 RMT= 2.50000     Z:  55.00000              
LOCAL ROT MATRIX:    0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
                     1.0000000 0.0000000 0.0000000
ATOM  -3: X=0.28629000 Y=0.25000000 Z=0.42425000
          MULT= 4          ISPLIT= 8
      -3: X=0.71371000 Y=0.75000000 Z=0.57575000
      -3: X=0.78629000 Y=0.25000000 Z=0.07575000
      -3: X=0.21371000 Y=0.75000000 Z=0.92425000
Hg         NPT=  781  R0=.000005000 RMT= 2.48        Z:  80.00000              
LOCAL ROT MATRIX:    0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
                     1.0000000 0.0000000 0.0000000
ATOM  -4: X=0.03200000 Y=0.25000000 Z=0.08390000
          MULT= 4          ISPLIT= 8
      -4: X=0.96800000 Y=0.75000000 Z=0.91610000
      -4: X=0.53200000 Y=0.25000000 Z=0.41610000
      -4: X=0.46800000 Y=0.75000000 Z=0.58390000
Cl         NPT=  781  R0=.000100000 RMT= 2.03        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  -5: X=0.17430000 Y=0.25000000 Z=0.58910000
          MULT= 4          ISPLIT= 8
      -5: X=0.82570000 Y=0.75000000 Z=0.41090000
      -5: X=0.67430000 Y=0.25000000 Z=0.91090000
      -5: X=0.32570000 Y=0.75000000 Z=0.08910000
Cl         NPT=  781  R0=.000100000 RMT= 2.03        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=0.18410000 Y=0.50620000 Z=0.33910000
          MULT= 8          ISPLIT= 8
      -6: X=0.81590000 Y=0.49380000 Z=0.66090000
      -6: X=0.68410000 Y=0.50620000 Z=0.16090000
      -6: X=0.31590000 Y=0.49380000 Z=0.83910000
      -6: X=0.31590000 Y=0.00620000 Z=0.83910000
      -6: X=0.68410000 Y=0.99380000 Z=0.16090000
      -6: X=0.81590000 Y=0.00620000 Z=0.66090000
      -6: X=0.18410000 Y=0.99380000 Z=0.33910000
Cl         NPT=  781  R0=.000100000 RMT= 2.03        Z:  17.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000