CXZ LATTICE,NONEQUIV.ATOMS   6    5 B2                                         
MODE OF CALC=RELA unit=bohr                                                    
 20.573448 15.367253 11.011434 90.000000 90.000000 76.170000                   
ATOM  -1: X=0.79080000 Y=0.19750000 Z=0.00000000
          MULT= 2          ISPLIT= 8
      -1: X=0.20920000 Y=0.80250000 Z=0.00000000
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=0.58690000 Y=0.29440000 Z=0.49230000
          MULT= 2          ISPLIT= 8
      -2: X=0.41310000 Y=0.70560000 Z=0.49230000
P          NPT=  781  R0=.000100000 RMT= 1.85        Z:  15.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -3: X=0.75930000 Y=0.64370000 Z=0.13400000
          MULT= 2          ISPLIT= 8
      -3: X=0.24070000 Y=0.35630000 Z=0.13400000
S          NPT=  781  R0=.000100000 RMT= 1.94        Z:  16.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -4: X=0.00000000 Y=0.50000000 Z=0.78120000
          MULT= 1          ISPLIT= 8
S          NPT=  781  R0=.000100000 RMT= 1.94        Z:  16.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -5: X=0.62670000 Y=0.10740000 Z=0.25160000
          MULT= 2          ISPLIT= 8
      -5: X=0.37330000 Y=0.89260000 Z=0.25160000
S          NPT=  781  R0=.000100000 RMT= 1.94        Z:  16.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -6: X=0.97370000 Y=0.23620000 Z=0.23770000
          MULT= 2          ISPLIT= 8
      -6: X=0.02630000 Y=0.76380000 Z=0.23770000
S          NPT=  781  R0=.000100000 RMT= 1.94        Z:  16.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000