P   LATTICE,NONEQUIV.ATOMS   8   60 Pbcn                                       
MODE OF CALC=RELA unit=bohr                                                    
 17.341450 18.360390 18.179921 90.000000 90.000000 90.000000                   
ATOM  -1: X=0.00000000 Y=0.40092000 Z=0.25000000
          MULT= 4          ISPLIT= 8
      -1: X=0.00000000 Y=0.59908000 Z=0.75000000
      -1: X=0.50000000 Y=0.90092000 Z=0.25000000
      -1: X=0.50000000 Y=0.09908000 Z=0.75000000
Hg         NPT=  781  R0=.000005000 RMT= 2.33        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  -2: X=0.24571000 Y=0.14506000 Z=0.01098000
          MULT= 8          ISPLIT= 8
      -2: X=0.75429000 Y=0.85494000 Z=0.98902000
      -2: X=0.74571000 Y=0.64506000 Z=0.48902000
      -2: X=0.25429000 Y=0.35494000 Z=0.51098000
      -2: X=0.25429000 Y=0.64506000 Z=0.01098000
      -2: X=0.74571000 Y=0.35494000 Z=0.98902000
      -2: X=0.75429000 Y=0.14506000 Z=0.48902000
      -2: X=0.24571000 Y=0.85494000 Z=0.51098000
Au         NPT=  781  R0=.000005000 RMT= 1.88        Z:  79.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -3: X=0.39920000 Y=0.30290000 Z=0.38650000
          MULT= 8          ISPLIT= 8
      -3: X=0.60080000 Y=0.69710000 Z=0.61350000
      -3: X=0.89920000 Y=0.80290000 Z=0.11350000
      -3: X=0.10080000 Y=0.19710000 Z=0.88650000
      -3: X=0.10080000 Y=0.80290000 Z=0.38650000
      -3: X=0.89920000 Y=0.19710000 Z=0.61350000
      -3: X=0.60080000 Y=0.30290000 Z=0.11350000
      -3: X=0.39920000 Y=0.69710000 Z=0.88650000
F          NPT=  781  R0=.000100000 RMT= 1.62        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  -4: X=0.10800000 Y=0.04200000 Z=0.11200000
          MULT= 8          ISPLIT= 8
      -4: X=0.89200000 Y=0.95800000 Z=0.88800000
      -4: X=0.60800000 Y=0.54200000 Z=0.38800000
      -4: X=0.39200000 Y=0.45800000 Z=0.61200000
      -4: X=0.39200000 Y=0.54200000 Z=0.11200000
      -4: X=0.60800000 Y=0.45800000 Z=0.88800000
      -4: X=0.89200000 Y=0.04200000 Z=0.38800000
      -4: X=0.10800000 Y=0.95800000 Z=0.61200000
F          NPT=  781  R0=.000100000 RMT= 1.62        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  -5: X=0.11180000 Y=0.25520000 Z=0.40600000
          MULT= 8          ISPLIT= 8
      -5: X=0.88820000 Y=0.74480000 Z=0.59400000
      -5: X=0.61180000 Y=0.75520000 Z=0.09400000
      -5: X=0.38820000 Y=0.24480000 Z=0.90600000
      -5: X=0.38820000 Y=0.75520000 Z=0.40600000
      -5: X=0.61180000 Y=0.24480000 Z=0.59400000
      -5: X=0.88820000 Y=0.25520000 Z=0.09400000
      -5: X=0.11180000 Y=0.74480000 Z=0.90600000
F          NPT=  781  R0=.000100000 RMT= 1.62        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=0.39750000 Y=0.09030000 Z=0.13630000
          MULT= 8          ISPLIT= 8
      -6: X=0.60250000 Y=0.90970000 Z=0.86370000
      -6: X=0.89750000 Y=0.59030000 Z=0.36370000
      -6: X=0.10250000 Y=0.40970000 Z=0.63630000
      -6: X=0.10250000 Y=0.59030000 Z=0.13630000
      -6: X=0.89750000 Y=0.40970000 Z=0.86370000
      -6: X=0.60250000 Y=0.09030000 Z=0.36370000
      -6: X=0.39750000 Y=0.90970000 Z=0.63630000
F          NPT=  781  R0=.000100000 RMT= 1.62        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  -7: X=0.30000000 Y=0.00330000 Z=0.39540000
          MULT= 8          ISPLIT= 8
      -7: X=0.70000000 Y=0.99670000 Z=0.60460000
      -7: X=0.80000000 Y=0.50330000 Z=0.10460000
      -7: X=0.20000000 Y=0.49670000 Z=0.89540000
      -7: X=0.20000000 Y=0.50330000 Z=0.39540000
      -7: X=0.80000000 Y=0.49670000 Z=0.60460000
      -7: X=0.70000000 Y=0.00330000 Z=0.10460000
      -7: X=0.30000000 Y=0.99670000 Z=0.89540000
F          NPT=  781  R0=.000100000 RMT= 1.62        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  -8: X=0.19880000 Y=0.30060000 Z=0.12630000
          MULT= 8          ISPLIT= 8
      -8: X=0.80120000 Y=0.69940000 Z=0.87370000
      -8: X=0.69880000 Y=0.80060000 Z=0.37370000
      -8: X=0.30120000 Y=0.19940000 Z=0.62630000
      -8: X=0.30120000 Y=0.80060000 Z=0.12630000
      -8: X=0.69880000 Y=0.19940000 Z=0.87370000
      -8: X=0.80120000 Y=0.30060000 Z=0.37370000
      -8: X=0.19880000 Y=0.69940000 Z=0.62630000
F          NPT=  781  R0=.000100000 RMT= 1.62        Z:   9.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000