P   LATTICE,NONEQUIV.ATOMS   6   11 P21/m                                      
MODE OF CALC=RELA unit=bohr                                                    
 20.822892 14.615142 15.847243 90.000000 90.000000110.060000                   
ATOM  -1: X=0.27397000 Y=0.09387000 Z=0.25000000
          MULT= 2          ISPLIT= 8
      -1: X=0.72603000 Y=0.90613000 Z=0.75000000
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  -2: X=0.54496000 Y=0.18988000 Z=0.25000000
          MULT= 2          ISPLIT= 8
      -2: X=0.45504000 Y=0.81012000 Z=0.75000000
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  -3: X=0.21163000 Y=0.26151000 Z=0.51474000
          MULT= 4          ISPLIT= 8
      -3: X=0.78837000 Y=0.73849000 Z=0.48526000
      -3: X=0.78837000 Y=0.73849000 Z=0.01474000
      -3: X=0.21163000 Y=0.26151000 Z=0.98526000
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  -4: X=0.14263000 Y=0.72238000 Z=0.25000000
          MULT= 2          ISPLIT= 8
      -4: X=0.85737000 Y=0.27762000 Z=0.75000000
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=0.46777000 Y=0.66050000 Z=0.25000000
          MULT= 2          ISPLIT= 8
      -5: X=0.53223000 Y=0.33950000 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  -6: X=0.90527000 Y=0.21824000 Z=0.25000000
          MULT= 2          ISPLIT= 8
      -6: X=0.09473000 Y=0.78176000 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