P   LATTICE,NONEQUIV.ATOMS   9   14 P21/n                                      
MODE OF CALC=RELA unit=bohr                                                    
 21.319890 11.302452 16.159048 90.000000 90.000000 91.160000                   
ATOM  -1: X=0.00000000 Y=0.00000000 Z=0.00000000
          MULT= 2          ISPLIT= 8
      -1: X=0.50000000 Y=0.50000000 Z=0.50000000
Hg         NPT=  781  R0=.000005000 RMT= 1.93        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=0.07050000 Y=0.23950000 Z=0.76980000
          MULT= 4          ISPLIT= 8
      -2: X=0.92950000 Y=0.76050000 Z=0.23020000
      -2: X=0.42950000 Y=0.26050000 Z=0.26980000
      -2: X=0.57050000 Y=0.73950000 Z=0.73020000
Hg         NPT=  781  R0=.000005000 RMT= 1.93        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=0.17220000 Y=0.29970000 Z=0.35690000
          MULT= 4          ISPLIT= 8
      -3: X=0.82780000 Y=0.70030000 Z=0.64310000
      -3: X=0.32780000 Y=0.20030000 Z=0.85690000
      -3: X=0.67220000 Y=0.79970000 Z=0.14310000
As         NPT=  781  R0=.000050000 RMT= 1.57        Z:  33.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -4: X=0.21600000 Y=0.16900000 Z=0.19400000
          MULT= 4          ISPLIT= 8
      -4: X=0.78400000 Y=0.83100000 Z=0.80600000
      -4: X=0.28400000 Y=0.33100000 Z=0.69400000
      -4: X=0.71600000 Y=0.66900000 Z=0.30600000
F          NPT=  781  R0=.000100000 RMT= 1.49        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=0.03400000 Y=0.31600000 Z=0.27800000
          MULT= 4          ISPLIT= 8
      -5: X=0.96600000 Y=0.68400000 Z=0.72200000
      -5: X=0.46600000 Y=0.18400000 Z=0.77800000
      -5: X=0.53400000 Y=0.81600000 Z=0.22200000
F          NPT=  781  R0=.000100000 RMT= 1.49        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=0.14600000 Y=0.05500000 Z=0.44900000
          MULT= 4          ISPLIT= 8
      -6: X=0.85400000 Y=0.94500000 Z=0.55100000
      -6: X=0.35400000 Y=0.44500000 Z=0.94900000
      -6: X=0.64600000 Y=0.55500000 Z=0.05100000
F          NPT=  781  R0=.000100000 RMT= 1.49        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=0.31100000 Y=0.30600000 Z=0.42500000
          MULT= 4          ISPLIT= 8
      -7: X=0.68900000 Y=0.69400000 Z=0.57500000
      -7: X=0.18900000 Y=0.19400000 Z=0.92500000
      -7: X=0.81100000 Y=0.80600000 Z=0.07500000
F          NPT=  781  R0=.000100000 RMT= 1.49        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=0.20300000 Y=0.55600000 Z=0.30400000
          MULT= 4          ISPLIT= 8
      -8: X=0.79700000 Y=0.44400000 Z=0.69600000
      -8: X=0.29700000 Y=0.94400000 Z=0.80400000
      -8: X=0.70300000 Y=0.05600000 Z=0.19600000
F          NPT=  781  R0=.000100000 RMT= 1.49        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  -9: X=0.11400000 Y=0.41200000 Z=0.52600000
          MULT= 4          ISPLIT= 8
      -9: X=0.88600000 Y=0.58800000 Z=0.47400000
      -9: X=0.38600000 Y=0.08800000 Z=0.02600000
      -9: X=0.61400000 Y=0.91200000 Z=0.97400000
F          NPT=  781  R0=.000100000 RMT= 1.49        Z:   9.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000