P   LATTICE,NONEQUIV.ATOMS   7   31 Pmn21                                      
MODE OF CALC=RELA unit=bohr                                                    
 20.136922  8.278890  7.912661 90.000000 90.000000 90.000000                   
ATOM  -1: X=0.00000000 Y=0.18015000 Z=0.10333000
          MULT= 2          ISPLIT= 8
      -1: X=0.50000000 Y=0.81985000 Z=0.60333000
Hg         NPT=  781  R0=.000005000 RMT= 2.45        Z:  80.00000              
LOCAL ROT MATRIX:    0.0000000 0.0000000 1.0000000
                     1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
ATOM  -2: X=0.37960000 Y=0.32620000 Z=0.09000000
          MULT= 4          ISPLIT= 8
      -2: X=0.12040000 Y=0.67380000 Z=0.59000000
      -2: X=0.62040000 Y=0.32620000 Z=0.09000000
      -2: X=0.87960000 Y=0.67380000 Z=0.59000000
B          NPT=  781  R0=.000100000 RMT= 1.24        Z:   5.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -3: X=0.25130000 Y=0.17420000 Z=0.57040000
          MULT= 4          ISPLIT= 8
      -3: X=0.24870000 Y=0.82580000 Z=0.07040000
      -3: X=0.74870000 Y=0.17420000 Z=0.57040000
      -3: X=0.75130000 Y=0.82580000 Z=0.07040000
B          NPT=  781  R0=.000100000 RMT= 1.24        Z:   5.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -4: X=0.13850000 Y=0.35180000 Z=0.51550000
          MULT= 4          ISPLIT= 8
      -4: X=0.36150000 Y=0.64820000 Z=0.01550000
      -4: X=0.86150000 Y=0.35180000 Z=0.51550000
      -4: X=0.63850000 Y=0.64820000 Z=0.01550000
O          NPT=  781  R0=.000100000 RMT= 1.44        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=0.27620000 Y=0.13630000 Z=0.92720000
          MULT= 4          ISPLIT= 8
      -5: X=0.22380000 Y=0.86370000 Z=0.42720000
      -5: X=0.72380000 Y=0.13630000 Z=0.92720000
      -5: X=0.77620000 Y=0.86370000 Z=0.42720000
O          NPT=  781  R0=.000100000 RMT= 1.44        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=0.00000000 Y=0.77700000 Z=0.48090000
          MULT= 2          ISPLIT= 8
      -6: X=0.50000000 Y=0.22300000 Z=0.98090000
O          NPT=  781  R0=.000100000 RMT= 1.44        Z:   8.00000              
LOCAL ROT MATRIX:    0.0000000 0.0000000 1.0000000
                     1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
ATOM  -7: X=0.36670000 Y=0.27250000 Z=0.43220000
          MULT= 4          ISPLIT= 8
      -7: X=0.13330000 Y=0.72750000 Z=0.93220000
      -7: X=0.63330000 Y=0.27250000 Z=0.43220000
      -7: X=0.86670000 Y=0.72750000 Z=0.93220000
O          NPT=  781  R0=.000100000 RMT= 1.44        Z:   8.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000