CXY LATTICE,NONEQUIV.ATOMS   6   36 Cmc21                                      
MODE OF CALC=RELA unit=bohr                                                    
 21.075738 30.668554  9.518928 90.000000 90.000000 90.000000                   
ATOM  -1: X=0.11330000 Y=0.24272000 Z=0.04040000
          MULT= 4          ISPLIT= 8
      -1: X=0.88670000 Y=0.75728000 Z=0.54040000
      -1: X=0.88670000 Y=0.24272000 Z=0.04040000
      -1: X=0.11330000 Y=0.75728000 Z=0.54040000
Hg         NPT=  781  R0=.000005000 RMT= 2.32        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=0.11300000 Y=0.08341000 Z=0.53930000
          MULT= 4          ISPLIT= 8
      -2: X=0.88700000 Y=0.91659000 Z=0.03930000
      -2: X=0.88700000 Y=0.08341000 Z=0.53930000
      -2: X=0.11300000 Y=0.91659000 Z=0.03930000
Hg         NPT=  781  R0=.000005000 RMT= 2.32        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=0.32310000 Y=0.10510000 Z=0.07980000
          MULT= 4          ISPLIT= 8
      -3: X=0.67690000 Y=0.89490000 Z=0.57980000
      -3: X=0.67690000 Y=0.10510000 Z=0.07980000
      -3: X=0.32310000 Y=0.89490000 Z=0.57980000
Se         NPT=  781  R0=.000050000 RMT= 1.61        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  -4: X=0.19000000 Y=0.07100000 Z=0.00300000
          MULT= 4          ISPLIT= 8
      -4: X=0.81000000 Y=0.92900000 Z=0.50300000
      -4: X=0.81000000 Y=0.07100000 Z=0.00300000
      -4: X=0.19000000 Y=0.92900000 Z=0.50300000
O          NPT=  781  R0=.000100000 RMT= 1.46        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  -5: X=0.30600000 Y=0.20500000 Z=0.00700000
          MULT= 4          ISPLIT= 8
      -5: X=0.69400000 Y=0.79500000 Z=0.50700000
      -5: X=0.69400000 Y=0.20500000 Z=0.00700000
      -5: X=0.30600000 Y=0.79500000 Z=0.50700000
O          NPT=  781  R0=.000100000 RMT= 1.46        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  -6: X=0.31600000 Y=0.10100000 Z=0.41200000
          MULT= 4          ISPLIT= 8
      -6: X=0.68400000 Y=0.89900000 Z=0.91200000
      -6: X=0.68400000 Y=0.10100000 Z=0.41200000
      -6: X=0.31600000 Y=0.89900000 Z=0.91200000
O          NPT=  781  R0=.000100000 RMT= 1.46        Z:   8.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000