P   LATTICE,NONEQUIV.ATOMS   8   11 P21/m                                      
MODE OF CALC=RELA unit=bohr                                                    
 21.108241 15.794331 11.909054 90.000000 90.000000106.880000                   
ATOM  -1: X=0.13660000 Y=0.46060000 Z=0.25000000
          MULT= 2          ISPLIT= 8
      -1: X=0.86340000 Y=0.53940000 Z=0.75000000
Hg         NPT=  781  R0=.000005000 RMT= 2.36        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=0.55570000 Y=0.36860000 Z=0.25000000
          MULT= 2          ISPLIT= 8
      -2: X=0.44430000 Y=0.63140000 Z=0.75000000
Hg         NPT=  781  R0=.000005000 RMT= 2.36        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=0.74800000 Y=0.97300000 Z=0.25000000
          MULT= 2          ISPLIT= 8
      -3: X=0.25200000 Y=0.02700000 Z=0.75000000
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=0.43200000 Y=0.07300000 Z=0.25000000
          MULT= 2          ISPLIT= 8
      -4: X=0.56800000 Y=0.92700000 Z=0.75000000
Br         NPT=  781  R0=.000050000 RMT= 2.13        Z:  35.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -5: X=0.78900000 Y=0.51100000 Z=0.25000000
          MULT= 2          ISPLIT= 8
      -5: X=0.21100000 Y=0.48900000 Z=0.75000000
Br         NPT=  781  R0=.000050000 RMT= 2.13        Z:  35.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -6: X=0.10100000 Y=0.16200000 Z=0.25000000
          MULT= 2          ISPLIT= 8
      -6: X=0.89900000 Y=0.83800000 Z=0.75000000
Br         NPT=  781  R0=.000050000 RMT= 2.13        Z:  35.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -7: X=0.12300000 Y=0.74100000 Z=0.25000000
          MULT= 2          ISPLIT= 8
      -7: X=0.87700000 Y=0.25900000 Z=0.75000000
Br         NPT=  781  R0=.000050000 RMT= 2.13        Z:  35.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -8: X=0.43800000 Y=0.60000000 Z=0.25000000
          MULT= 2          ISPLIT= 8
      -8: X=0.56200000 Y=0.40000000 Z=0.75000000
Br         NPT=  781  R0=.000050000 RMT= 2.13        Z:  35.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000