H   LATTICE,NONEQUIV.ATOMS   6  147 P-3                                        
MODE OF CALC=RELA unit=bohr                                                    
 13.951848 13.951848 20.643368 90.000000 90.000000120.000000                   
ATOM  -1: X=0.50000000 Y=0.00000000 Z=0.00000000
          MULT= 3          ISPLIT= 8
      -1: X=0.00000000 Y=0.50000000 Z=0.00000000
      -1: X=0.50000000 Y=0.50000000 Z=0.00000000
Hg         NPT=  781  R0=.000005000 RMT= 2.33        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=0.50000000 Y=0.00000000 Z=0.50000000
          MULT= 3          ISPLIT= 8
      -2: X=0.00000000 Y=0.50000000 Z=0.50000000
      -2: X=0.50000000 Y=0.50000000 Z=0.50000000
Hg         NPT=  781  R0=.000005000 RMT= 2.33        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=0.00000000 Y=0.00000000 Z=0.22520000
          MULT= 2          ISPLIT= 4
      -3: X=0.00000000 Y=0.00000000 Z=0.77480000
Zn         NPT=  781  R0=.000050000 RMT= 2.18        Z:  30.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -4: X=0.35140000 Y=0.17460000 Z=0.24830000
          MULT= 6          ISPLIT= 8
      -4: X=0.64860000 Y=0.82540000 Z=0.75170000
      -4: X=0.82540000 Y=0.17680000 Z=0.24830000
      -4: X=0.17460000 Y=0.82320000 Z=0.75170000
      -4: X=0.82320000 Y=0.64860000 Z=0.24830000
      -4: X=0.17680000 Y=0.35140000 Z=0.75170000
Se         NPT=  781  R0=.000050000 RMT= 2.07        Z:  34.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -5: X=0.33333333 Y=0.66666667 Z=0.40750000
          MULT= 2          ISPLIT= 4
      -5: X=0.66666667 Y=0.33333333 Z=0.59250000
Br         NPT=  781  R0=.000050000 RMT= 2.10        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=0.33333333 Y=0.66666667 Z=0.13450000
          MULT= 2          ISPLIT= 4
      -6: X=0.66666667 Y=0.33333333 Z=0.86550000
Br         NPT=  781  R0=.000050000 RMT= 2.10        Z:  35.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000