P   LATTICE,NONEQUIV.ATOMS   7   14 P21/n                                      
MODE OF CALC=RELA unit=bohr                                                    
 20.522426  9.662359 17.042117 90.000000 90.000000101.010000                   
ATOM  -1: X=0.42147000 Y=0.55909000 Z=0.28547000
          MULT= 4          ISPLIT= 8
      -1: X=0.57853000 Y=0.44091000 Z=0.71453000
      -1: X=0.07853000 Y=0.94091000 Z=0.78547000
      -1: X=0.92147000 Y=0.05909000 Z=0.21453000
Hg         NPT=  781  R0=.000005000 RMT= 2.22        Z:  80.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -2: X=0.06331000 Y=0.34530000 Z=0.37735000
          MULT= 4          ISPLIT= 8
      -2: X=0.93669000 Y=0.65470000 Z=0.62265000
      -2: X=0.43669000 Y=0.15470000 Z=0.87735000
      -2: X=0.56331000 Y=0.84530000 Z=0.12265000
Hg         NPT=  781  R0=.000005000 RMT= 2.22        Z:  80.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -3: X=0.21623000 Y=0.03070000 Z=0.03982000
          MULT= 4          ISPLIT= 8
      -3: X=0.78377000 Y=0.96930000 Z=0.96018000
      -3: X=0.28377000 Y=0.46930000 Z=0.53982000
      -3: X=0.71623000 Y=0.53070000 Z=0.46018000
Mo         NPT=  781  R0=.000010000 RMT= 1.66        Z:  42.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -4: X=0.14270000 Y=0.09800000 Z=0.53470000
          MULT= 4          ISPLIT= 8
      -4: X=0.85730000 Y=0.90200000 Z=0.46530000
      -4: X=0.35730000 Y=0.40200000 Z=0.03470000
      -4: X=0.64270000 Y=0.59800000 Z=0.96530000
O          NPT=  781  R0=.000100000 RMT= 1.50        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  -5: X=0.20860000 Y=0.16300000 Z=0.21570000
          MULT= 4          ISPLIT= 8
      -5: X=0.79140000 Y=0.83700000 Z=0.78430000
      -5: X=0.29140000 Y=0.33700000 Z=0.71570000
      -5: X=0.70860000 Y=0.66300000 Z=0.28430000
O          NPT=  781  R0=.000100000 RMT= 1.50        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  -6: X=0.41430000 Y=0.21700000 Z=0.50950000
          MULT= 4          ISPLIT= 8
      -6: X=0.58570000 Y=0.78300000 Z=0.49050000
      -6: X=0.08570000 Y=0.28300000 Z=0.00950000
      -6: X=0.91430000 Y=0.71700000 Z=0.99050000
O          NPT=  781  R0=.000100000 RMT= 1.50        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  -7: X=0.27790000 Y=0.70000000 Z=0.40870000
          MULT= 4          ISPLIT= 8
      -7: X=0.72210000 Y=0.30000000 Z=0.59130000
      -7: X=0.22210000 Y=0.80000000 Z=0.90870000
      -7: X=0.77790000 Y=0.20000000 Z=0.09130000
O          NPT=  781  R0=.000100000 RMT= 1.50        Z:   8.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000