P   LATTICE,NONEQUIV.ATOMS   7   62 Pnma                                       
MODE OF CALC=RELA unit=bohr                                                    
 16.848798 20.356130 25.520751 90.000000 90.000000 90.000000                   
ATOM  -1: X=0.29400000 Y=0.25000000 Z=0.11720000
          MULT= 4          ISPLIT= 8
      -1: X=0.70600000 Y=0.75000000 Z=0.88280000
      -1: X=0.79400000 Y=0.25000000 Z=0.38280000
      -1: X=0.20600000 Y=0.75000000 Z=0.61720000
Hg         NPT=  781  R0=.000005000 RMT= 2.50000     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=0.40730000 Y=0.25000000 Z=0.54850000
          MULT= 4          ISPLIT= 8
      -2: X=0.59270000 Y=0.75000000 Z=0.45150000
      -2: X=0.90730000 Y=0.25000000 Z=0.95150000
      -2: X=0.09270000 Y=0.75000000 Z=0.04850000
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=0.08850000 Y=0.52430000 Z=0.33390000
          MULT= 8          ISPLIT= 8
      -3: X=0.91150000 Y=0.47570000 Z=0.66610000
      -3: X=0.58850000 Y=0.52430000 Z=0.16610000
      -3: X=0.41150000 Y=0.47570000 Z=0.83390000
      -3: X=0.41150000 Y=0.02430000 Z=0.83390000
      -3: X=0.58850000 Y=0.97570000 Z=0.16610000
      -3: X=0.91150000 Y=0.02430000 Z=0.66610000
      -3: X=0.08850000 Y=0.97570000 Z=0.33390000
Cs         NPT=  781  R0=.000010000 RMT= 2.50000     Z:  55.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -4: X=0.03320000 Y=0.25000000 Z=0.48500000
          MULT= 4          ISPLIT= 8
      -4: X=0.96680000 Y=0.75000000 Z=0.51500000
      -4: X=0.53320000 Y=0.25000000 Z=0.01500000
      -4: X=0.46680000 Y=0.75000000 Z=0.98500000
Cl         NPT=  781  R0=.000100000 RMT= 2.06        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=0.37420000 Y=0.25000000 Z=0.29000000
          MULT= 4          ISPLIT= 8
      -5: X=0.62580000 Y=0.75000000 Z=0.71000000
      -5: X=0.87420000 Y=0.25000000 Z=0.21000000
      -5: X=0.12580000 Y=0.75000000 Z=0.79000000
Cl         NPT=  781  R0=.000100000 RMT= 2.06        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=0.18580000 Y=0.05100000 Z=0.06930000
          MULT= 8          ISPLIT= 8
      -6: X=0.81420000 Y=0.94900000 Z=0.93070000
      -6: X=0.68580000 Y=0.05100000 Z=0.43070000
      -6: X=0.31420000 Y=0.94900000 Z=0.56930000
      -6: X=0.31420000 Y=0.55100000 Z=0.56930000
      -6: X=0.68580000 Y=0.44900000 Z=0.43070000
      -6: X=0.81420000 Y=0.55100000 Z=0.93070000
      -6: X=0.18580000 Y=0.44900000 Z=0.06930000
Cl         NPT=  781  R0=.000100000 RMT= 2.06        Z:  17.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -7: X=0.16200000 Y=0.25000000 Z=0.76290000
          MULT= 4          ISPLIT= 8
      -7: X=0.83800000 Y=0.75000000 Z=0.23710000
      -7: X=0.66200000 Y=0.25000000 Z=0.73710000
      -7: X=0.33800000 Y=0.75000000 Z=0.26290000
Cl         NPT=  781  R0=.000100000 RMT= 2.06        Z:  17.00000              
LOCAL ROT MATRIX:    0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
                     1.0000000 0.0000000 0.0000000