P   LATTICE,NONEQUIV.ATOMS   7    4 P21                                        
MODE OF CALC=RELA unit=bohr                                                    
 20.819113 14.617032 15.841574 90.000000 90.000000110.110000                   
ATOM  -1: X=0.02740000 Y=0.33340000 Z=0.51500000
          MULT= 2          ISPLIT= 8
      -1: X=0.97260000 Y=0.66660000 Z=0.01500000
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  -2: X=0.40860000 Y=0.24100000 Z=0.04700000
          MULT= 2          ISPLIT= 8
      -2: X=0.59140000 Y=0.75900000 Z=0.54700000
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  -3: X=0.77290000 Y=0.08970000 Z=0.00600000
          MULT= 2          ISPLIT= 8
      -3: X=0.22710000 Y=0.91030000 Z=0.50600000
Hg         NPT=  781  R0=.000005000 RMT= 2.50000     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=0.04840000 Y=0.19600000 Z=0.00000000
          MULT= 2          ISPLIT= 8
      -4: X=0.95160000 Y=0.80400000 Z=0.50000000
I          NPT=  781  R0=.000010000 RMT= 2.50000     Z:  53.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -5: X=0.36340000 Y=0.28100000 Z=0.53500000
          MULT= 2          ISPLIT= 8
      -5: X=0.63660000 Y=0.71900000 Z=0.03500000
I          NPT=  781  R0=.000010000 RMT= 2.50000     Z:  53.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -6: X=0.70440000 Y=0.24800000 Z=0.28010000
          MULT= 2          ISPLIT= 8
      -6: X=0.29560000 Y=0.75200000 Z=0.78010000
I          NPT=  781  R0=.000010000 RMT= 2.50000     Z:  53.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -7: X=0.28340000 Y=0.73600000 Z=0.24210000
          MULT= 2          ISPLIT= 8
      -7: X=0.71660000 Y=0.26400000 Z=0.74210000
I          NPT=  781  R0=.000010000 RMT= 2.50000     Z:  53.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000