H   LATTICE,NONEQUIV.ATOMS   6  152 P3121                                      
MODE OF CALC=RELA unit=bohr                                                    
 13.322569 13.322569 18.935056 90.000000 90.000000120.000000                   
ATOM  -1: X=0.19300000 Y=0.50000000 Z=0.31433000
          MULT= 6          ISPLIT= 8
      -1: X=0.50000000 Y=0.69300000 Z=0.64766333
      -1: X=0.50000000 Y=0.19300000 Z=0.68567000
      -1: X=0.30700000 Y=0.80700000 Z=0.98099667
      -1: X=0.80700000 Y=0.30700000 Z=0.01900333
      -1: X=0.69300000 Y=0.50000000 Z=0.35233667
Hg         NPT=  781  R0=.000005000 RMT= 2.10        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=0.69300000 Y=0.00000000 Z=0.33333333
          MULT= 3          ISPLIT= 8
      -2: X=0.00000000 Y=0.69300000 Z=0.66666666
      -2: X=0.30700000 Y=0.30700000 Z=0.00000000
Hg         NPT=  781  R0=.000005000 RMT= 2.10        Z:  80.00000              
LOCAL ROT MATRIX:    0.0000000-0.5000000 0.8660254
                     0.0000000-0.8660254-0.5000000
                     1.0000000 0.0000000 0.0000000
ATOM  -3: X=0.22000000 Y=0.00000000 Z=0.33333333
          MULT= 3          ISPLIT= 8
      -3: X=0.00000000 Y=0.22000000 Z=0.66666666
      -3: X=0.78000000 Y=0.78000000 Z=0.00000000
S          NPT=  781  R0=.000100000 RMT= 1.36        Z:  16.00000              
LOCAL ROT MATRIX:    0.0000000-0.5000000 0.8660254
                     0.0000000-0.8660254-0.5000000
                     1.0000000 0.0000000 0.0000000
ATOM  -4: X=0.14100000 Y=0.47400000 Z=0.00000000
          MULT= 6          ISPLIT= 8
      -4: X=0.52600000 Y=0.66700000 Z=0.33333333
      -4: X=0.47400000 Y=0.14100000 Z=0.00000000
      -4: X=0.33300000 Y=0.85900000 Z=0.66666667
      -4: X=0.85900000 Y=0.33300000 Z=0.33333333
      -4: X=0.66700000 Y=0.52600000 Z=0.66666667
O          NPT=  781  R0=.000100000 RMT= 1.43        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=0.17600000 Y=0.15300000 Z=0.25533000
          MULT= 6          ISPLIT= 8
      -5: X=0.84700000 Y=0.02300000 Z=0.58866333
      -5: X=0.15300000 Y=0.17600000 Z=0.74467000
      -5: X=0.97700000 Y=0.82400000 Z=0.92199667
      -5: X=0.82400000 Y=0.97700000 Z=0.07800333
      -5: X=0.02300000 Y=0.84700000 Z=0.41133667
O          NPT=  781  R0=.000100000 RMT= 1.43        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=0.40300000 Y=0.12700000 Z=0.42733000
          MULT= 6          ISPLIT= 8
      -6: X=0.87300000 Y=0.27600000 Z=0.76066333
      -6: X=0.12700000 Y=0.40300000 Z=0.57267000
      -6: X=0.72400000 Y=0.59700000 Z=0.09399667
      -6: X=0.59700000 Y=0.72400000 Z=0.90600333
      -6: X=0.27600000 Y=0.87300000 Z=0.23933667
O          NPT=  781  R0=.000100000 RMT= 1.43        Z:   8.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000