B   LATTICE,NONEQUIV.ATOMS   4   72 Ibam                                       
MODE OF CALC=RELA unit=bohr                                                    
 19.708521 22.397412 14.801091 90.000000 90.000000 90.000000                   
ATOM  -1: X=0.33035000 Y=0.10656000 Z=0.25385000
          MULT= 8          ISPLIT= 8
      -1: X=0.66965000 Y=0.89344000 Z=0.74615000
      -1: X=0.33035000 Y=0.10656000 Z=0.74615000
      -1: X=0.66965000 Y=0.89344000 Z=0.25385000
      -1: X=0.66965000 Y=0.10656000 Z=0.75385000
      -1: X=0.33035000 Y=0.89344000 Z=0.24615000
      -1: X=0.66965000 Y=0.10656000 Z=0.24615000
      -1: X=0.33035000 Y=0.89344000 Z=0.75385000
Hg         NPT=  781  R0=.000005000 RMT= 2.28        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=0.03515000 Y=0.19879000 Z=0.00000000
          MULT= 4          ISPLIT= 8
      -2: X=0.96485000 Y=0.80121000 Z=0.00000000
      -2: X=0.96485000 Y=0.19879000 Z=0.50000000
      -2: X=0.03515000 Y=0.80121000 Z=0.50000000
Se         NPT=  781  R0=.000050000 RMT= 1.67        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  -3: X=0.46000000 Y=0.17490000 Z=0.00000000
          MULT= 4          ISPLIT= 8
      -3: X=0.54000000 Y=0.82510000 Z=0.00000000
      -3: X=0.54000000 Y=0.17490000 Z=0.50000000
      -3: X=0.46000000 Y=0.82510000 Z=0.50000000
O          NPT=  781  R0=.000100000 RMT= 1.51        Z:   8.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -4: X=0.13730000 Y=0.21680000 Z=0.16780000
          MULT= 8          ISPLIT= 8
      -4: X=0.86270000 Y=0.78320000 Z=0.83220000
      -4: X=0.13730000 Y=0.21680000 Z=0.83220000
      -4: X=0.86270000 Y=0.78320000 Z=0.16780000
      -4: X=0.86270000 Y=0.21680000 Z=0.66780000
      -4: X=0.13730000 Y=0.78320000 Z=0.33220000
      -4: X=0.86270000 Y=0.21680000 Z=0.33220000
      -4: X=0.13730000 Y=0.78320000 Z=0.66780000
O          NPT=  781  R0=.000100000 RMT= 1.51        Z:   8.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000