P   LATTICE,NONEQUIV.ATOMS   5   61 Pbca                                       
MODE OF CALC=RELA unit=bohr                                                    
 13.675948 34.468605 14.161608 90.000000 90.000000 90.000000                   
ATOM  -1: X=0.00200000 Y=0.05580000 Z=0.23000000
          MULT= 8          ISPLIT= 8
      -1: X=0.99800000 Y=0.94420000 Z=0.77000000
      -1: X=0.50200000 Y=0.05580000 Z=0.27000000
      -1: X=0.49800000 Y=0.94420000 Z=0.73000000
      -1: X=0.49800000 Y=0.55580000 Z=0.23000000
      -1: X=0.50200000 Y=0.44420000 Z=0.77000000
      -1: X=0.99800000 Y=0.55580000 Z=0.27000000
      -1: X=0.00200000 Y=0.44420000 Z=0.73000000
Na         NPT=  781  R0=.000100000 RMT= 2.50000     Z:  11.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -2: X=0.33000000 Y=0.19720000 Z=0.04600000
          MULT= 8          ISPLIT= 8
      -2: X=0.67000000 Y=0.80280000 Z=0.95400000
      -2: X=0.83000000 Y=0.19720000 Z=0.45400000
      -2: X=0.17000000 Y=0.80280000 Z=0.54600000
      -2: X=0.17000000 Y=0.69720000 Z=0.04600000
      -2: X=0.83000000 Y=0.30280000 Z=0.95400000
      -2: X=0.67000000 Y=0.69720000 Z=0.45400000
      -2: X=0.33000000 Y=0.30280000 Z=0.54600000
Na         NPT=  781  R0=.000100000 RMT= 2.50000     Z:  11.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -3: X=0.22750000 Y=0.38988000 Z=0.15230000
          MULT= 8          ISPLIT= 8
      -3: X=0.77250000 Y=0.61012000 Z=0.84770000
      -3: X=0.72750000 Y=0.38988000 Z=0.34770000
      -3: X=0.27250000 Y=0.61012000 Z=0.65230000
      -3: X=0.27250000 Y=0.88988000 Z=0.15230000
      -3: X=0.72750000 Y=0.11012000 Z=0.84770000
      -3: X=0.77250000 Y=0.88988000 Z=0.34770000
      -3: X=0.22750000 Y=0.11012000 Z=0.65230000
Hg         NPT=  781  R0=.000005000 RMT= 2.44        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=0.25690000 Y=0.44980000 Z=0.42280000
          MULT= 8          ISPLIT= 8
      -4: X=0.74310000 Y=0.55020000 Z=0.57720000
      -4: X=0.75690000 Y=0.44980000 Z=0.07720000
      -4: X=0.24310000 Y=0.55020000 Z=0.92280000
      -4: X=0.24310000 Y=0.94980000 Z=0.42280000
      -4: X=0.75690000 Y=0.05020000 Z=0.57720000
      -4: X=0.74310000 Y=0.94980000 Z=0.07720000
      -4: X=0.25690000 Y=0.05020000 Z=0.92280000
S          NPT=  781  R0=.000100000 RMT= 1.90        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=0.20360000 Y=0.17740000 Z=0.39100000
          MULT= 8          ISPLIT= 8
      -5: X=0.79640000 Y=0.82260000 Z=0.60900000
      -5: X=0.70360000 Y=0.17740000 Z=0.10900000
      -5: X=0.29640000 Y=0.82260000 Z=0.89100000
      -5: X=0.29640000 Y=0.67740000 Z=0.39100000
      -5: X=0.70360000 Y=0.32260000 Z=0.60900000
      -5: X=0.79640000 Y=0.67740000 Z=0.10900000
      -5: X=0.20360000 Y=0.32260000 Z=0.89100000
S          NPT=  781  R0=.000100000 RMT= 1.90        Z:  16.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000