B   LATTICE,NONEQUIV.ATOMS   3  199 I213                                       
MODE OF CALC=RELA unit=bohr                                                    
 17.120919 17.120919 17.120919 90.000000 90.000000 90.000000                   
ATOM  -1: X=0.30500000 Y=0.00000000 Z=0.25000000
          MULT= 6          ISPLIT= 8
      -1: X=0.69500000 Y=0.50000000 Z=0.25000000
      -1: X=0.25000000 Y=0.30500000 Z=0.00000000
      -1: X=0.75000000 Y=0.19500000 Z=0.00000000
      -1: X=0.00000000 Y=0.25000000 Z=0.30500000
      -1: X=0.00000000 Y=0.75000000 Z=0.19500000
Hg         NPT=  781  R0=.000005000 RMT= 2.47        Z:  80.00000              
LOCAL ROT MATRIX:    0.0000000 0.0000000 1.0000000
                     1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
ATOM  -2: X=0.27400000 Y=0.27400000 Z=0.27400000
          MULT= 4          ISPLIT= 4
      -2: X=0.72600000 Y=0.22600000 Z=0.27400000
      -2: X=0.27400000 Y=0.72600000 Z=0.22600000
      -2: X=0.72600000 Y=0.77400000 Z=0.22600000
Se         NPT=  781  R0=.000050000 RMT= 2.24        Z:  34.00000              
LOCAL ROT MATRIX:    0.7071068 0.4082483 0.5773503
                    -0.7071068 0.4082483 0.5773503
                     0.0000000-0.8164966 0.5773503
ATOM  -3: X=0.01400000 Y=0.01400000 Z=0.01400000
          MULT= 4          ISPLIT= 4
      -3: X=0.98600000 Y=0.48600000 Z=0.01400000
      -3: X=0.01400000 Y=0.98600000 Z=0.48600000
      -3: X=0.98600000 Y=0.51400000 Z=0.48600000
Cl         NPT=  781  R0=.000100000 RMT= 2.45        Z:  17.00000              
LOCAL ROT MATRIX:    0.7071068 0.4082483 0.5773503
                    -0.7071068 0.4082483 0.5773503
                     0.0000000-0.8164966 0.5773503