H   LATTICE,NONEQUIV.ATOMS  10  144 P31                                        
MODE OF CALC=RELA unit=bohr                                                    
 13.318790 13.318790 18.933922 90.000000 90.000000120.000000                   
ATOM  -1: X=0.30890000 Y=0.49580000 Z=0.36663000
          MULT= 3          ISPLIT= 8
      -1: X=0.50420000 Y=0.81310000 Z=0.69996333
      -1: X=0.18690000 Y=0.69110000 Z=0.03329667
Hg         NPT=  781  R0=.000005000 RMT= 2.13        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=0.29970000 Y=0.00000000 Z=0.34237000
          MULT= 3          ISPLIT= 8
      -2: X=0.00000000 Y=0.29970000 Z=0.67570333
      -2: X=0.70030000 Y=0.70030000 Z=0.00903667
Hg         NPT=  781  R0=.000005000 RMT= 2.13        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=0.69110000 Y=0.18680000 Z=0.00000000
          MULT= 3          ISPLIT= 8
      -3: X=0.81320000 Y=0.50430000 Z=0.33333333
      -3: X=0.49570000 Y=0.30890000 Z=0.66666667
Hg         NPT=  781  R0=.000005000 RMT= 2.13        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  -4: X=0.22760000 Y=0.21230000 Z=0.00743000
          MULT= 3          ISPLIT= 8
      -4: X=0.78770000 Y=0.01530000 Z=0.34076333
      -4: X=0.98470000 Y=0.77240000 Z=0.67409667
S          NPT=  781  R0=.000100000 RMT= 1.35        Z:  16.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -5: X=0.48210000 Y=0.33240000 Z=0.38163000
          MULT= 3          ISPLIT= 8
      -5: X=0.66760000 Y=0.14970000 Z=0.71496333
      -5: X=0.85030000 Y=0.51790000 Z=0.04829667
O          NPT=  781  R0=.000100000 RMT= 1.42        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=0.02240000 Y=0.13400000 Z=0.93130000
          MULT= 3          ISPLIT= 8
      -6: X=0.86600000 Y=0.88840000 Z=0.26463333
      -6: X=0.11160000 Y=0.97760000 Z=0.59796667
O          NPT=  781  R0=.000100000 RMT= 1.42        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=0.71290000 Y=0.11370000 Z=0.23763000
          MULT= 3          ISPLIT= 8
      -7: X=0.88630000 Y=0.59920000 Z=0.57096333
      -7: X=0.40080000 Y=0.28710000 Z=0.90429667
O          NPT=  781  R0=.000100000 RMT= 1.42        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  -8: X=0.14970000 Y=0.66760000 Z=0.28503000
          MULT= 3          ISPLIT= 8
      -8: X=0.33240000 Y=0.48210000 Z=0.61836333
      -8: X=0.51790000 Y=0.85030000 Z=0.95169667
O          NPT=  781  R0=.000100000 RMT= 1.42        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  -9: X=0.25670000 Y=0.05000000 Z=0.08510000
          MULT= 3          ISPLIT= 8
      -9: X=0.95000000 Y=0.20670000 Z=0.41843333
      -9: X=0.79330000 Y=0.74330000 Z=0.75176667
O          NPT=  781  R0=.000100000 RMT= 1.42        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 -10: X=0.28710000 Y=0.40080000 Z=0.09570000
          MULT= 3          ISPLIT= 8
     -10: X=0.59920000 Y=0.88630000 Z=0.42903333
     -10: X=0.11370000 Y=0.71290000 Z=0.76236667
O          NPT=  781  R0=.000100000 RMT= 1.42        Z:   8.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000