H   LATTICE,NONEQUIV.ATOMS   8  173 P63                                        
MODE OF CALC=RELA unit=bohr                                                    
 13.722246 13.722246 23.702079 90.000000 90.000000120.000000                   
ATOM  -1: X=0.33333333 Y=0.66666667 Z=0.08970000
          MULT= 2          ISPLIT= 4
      -1: X=0.66666666 Y=0.33333333 Z=0.58970000
Cs         NPT=  781  R0=.000010000 RMT= 2.50000     Z:  55.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -2: X=0.33333333 Y=0.66666667 Z=0.72670000
          MULT= 2          ISPLIT= 4
      -2: X=0.66666666 Y=0.33333333 Z=0.22670000
Cs         NPT=  781  R0=.000010000 RMT= 2.50000     Z:  55.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -3: X=0.14830000 Y=0.33760000 Z=0.39680000
          MULT= 6          ISPLIT= 8
      -3: X=0.81070000 Y=0.14830000 Z=0.89680000
      -3: X=0.66240000 Y=0.81070000 Z=0.39680000
      -3: X=0.85170000 Y=0.66240000 Z=0.89680000
      -3: X=0.18930000 Y=0.85170000 Z=0.39680000
      -3: X=0.33760000 Y=0.18930000 Z=0.89680000
W          NPT=  781  R0=.000005000 RMT= 1.72        Z:  74.00000              
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=0.00000000 Z=0.16950000
          MULT= 2          ISPLIT= 4
      -4: X=0.00000000 Y=0.00000000 Z=0.66950000
Se         NPT=  781  R0=.000050000 RMT= 1.70        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  -5: X=0.25000000 Y=0.12400000 Z=0.40470000
          MULT= 6          ISPLIT= 8
      -5: X=0.12600000 Y=0.25000000 Z=0.90470000
      -5: X=0.87600000 Y=0.12600000 Z=0.40470000
      -5: X=0.75000000 Y=0.87600000 Z=0.90470000
      -5: X=0.87400000 Y=0.75000000 Z=0.40470000
      -5: X=0.12400000 Y=0.87400000 Z=0.90470000
O          NPT=  781  R0=.000100000 RMT= 1.48        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=0.39790000 Y=0.20190000 Z=0.02850000
          MULT= 6          ISPLIT= 8
      -6: X=0.19600000 Y=0.39790000 Z=0.52850000
      -6: X=0.79810000 Y=0.19600000 Z=0.02850000
      -6: X=0.60210000 Y=0.79810000 Z=0.52850000
      -6: X=0.80400000 Y=0.60210000 Z=0.02850000
      -6: X=0.20190000 Y=0.80400000 Z=0.52850000
O          NPT=  781  R0=.000100000 RMT= 1.48        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  -7: X=0.09000000 Y=0.54900000 Z=0.35230000
          MULT= 6          ISPLIT= 8
      -7: X=0.54100000 Y=0.09000000 Z=0.85230000
      -7: X=0.45100000 Y=0.54100000 Z=0.35230000
      -7: X=0.91000000 Y=0.45100000 Z=0.85230000
      -7: X=0.45900000 Y=0.91000000 Z=0.35230000
      -7: X=0.54900000 Y=0.45900000 Z=0.85230000
O          NPT=  781  R0=.000100000 RMT= 1.48        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  -8: X=0.11400000 Y=0.24830000 Z=0.22800000
          MULT= 6          ISPLIT= 8
      -8: X=0.86570000 Y=0.11400000 Z=0.72800000
      -8: X=0.75170000 Y=0.86570000 Z=0.22800000
      -8: X=0.88600000 Y=0.75170000 Z=0.72800000
      -8: X=0.13430000 Y=0.88600000 Z=0.22800000
      -8: X=0.24830000 Y=0.13430000 Z=0.72800000
O          NPT=  781  R0=.000100000 RMT= 1.48        Z:   8.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000