H   LATTICE,NONEQUIV.ATOMS   8  173 P63                                        
MODE OF CALC=RELA unit=bohr                                                    
 13.975659 13.975659 23.028203 90.000000 90.000000120.000000                   
ATOM  -1: X=0.33333333 Y=0.66666667 Z=0.09180000
          MULT= 2          ISPLIT= 4
      -1: X=0.66666666 Y=0.33333333 Z=0.59180000
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=0.73230000
          MULT= 2          ISPLIT= 4
      -2: X=0.66666666 Y=0.33333333 Z=0.23230000
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=0.13470000 Y=0.33940000 Z=0.39460000
          MULT= 6          ISPLIT= 8
      -3: X=0.79530000 Y=0.13470000 Z=0.89460000
      -3: X=0.66060000 Y=0.79530000 Z=0.39460000
      -3: X=0.86530000 Y=0.66060000 Z=0.89460000
      -3: X=0.20470000 Y=0.86530000 Z=0.39460000
      -3: X=0.33940000 Y=0.20470000 Z=0.89460000
Mo         NPT=  781  R0=.000010000 RMT= 1.70        Z:  42.00000              
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=0.15710000
          MULT= 2          ISPLIT= 4
      -4: X=0.00000000 Y=0.00000000 Z=0.65710000
Te         NPT=  781  R0=.000010000 RMT= 1.90        Z:  52.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -5: X=0.25170000 Y=0.12500000 Z=0.41050000
          MULT= 6          ISPLIT= 8
      -5: X=0.12670000 Y=0.25170000 Z=0.91050000
      -5: X=0.87500000 Y=0.12670000 Z=0.41050000
      -5: X=0.74830000 Y=0.87500000 Z=0.91050000
      -5: X=0.87330000 Y=0.74830000 Z=0.41050000
      -5: X=0.12500000 Y=0.87330000 Z=0.91050000
O          NPT=  781  R0=.000100000 RMT= 1.54        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=0.39380000 Y=0.18990000 Z=0.03120000
          MULT= 6          ISPLIT= 8
      -6: X=0.20390000 Y=0.39380000 Z=0.53120000
      -6: X=0.81010000 Y=0.20390000 Z=0.03120000
      -6: X=0.60620000 Y=0.81010000 Z=0.53120000
      -6: X=0.79610000 Y=0.60620000 Z=0.03120000
      -6: X=0.18990000 Y=0.79610000 Z=0.53120000
O          NPT=  781  R0=.000100000 RMT= 1.54        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=0.08990000 Y=0.54500000 Z=0.35660000
          MULT= 6          ISPLIT= 8
      -7: X=0.54490000 Y=0.08990000 Z=0.85660000
      -7: X=0.45500000 Y=0.54490000 Z=0.35660000
      -7: X=0.91010000 Y=0.45500000 Z=0.85660000
      -7: X=0.45510000 Y=0.91010000 Z=0.35660000
      -7: X=0.54500000 Y=0.45510000 Z=0.85660000
O          NPT=  781  R0=.000100000 RMT= 1.54        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=0.13900000 Y=0.25610000 Z=0.23180000
          MULT= 6          ISPLIT= 8
      -8: X=0.88290000 Y=0.13900000 Z=0.73180000
      -8: X=0.74390000 Y=0.88290000 Z=0.23180000
      -8: X=0.86100000 Y=0.74390000 Z=0.73180000
      -8: X=0.11710000 Y=0.86100000 Z=0.23180000
      -8: X=0.25610000 Y=0.11710000 Z=0.73180000
O          NPT=  781  R0=.000100000 RMT= 1.54        Z:   8.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000