H   LATTICE,NONEQUIV.ATOMS   8  173 P63                                        
MODE OF CALC=RELA unit=bohr                                                    
 13.817677 13.817677 23.389140 90.000000 90.000000120.000000                   
ATOM  -1: X=0.33333333 Y=0.66666667 Z=0.09640000
          MULT= 2          ISPLIT= 4
      -1: X=0.66666666 Y=0.33333333 Z=0.59640000
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=0.73290000
          MULT= 2          ISPLIT= 4
      -2: X=0.66666666 Y=0.33333333 Z=0.23290000
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=0.13630000 Y=0.33890000 Z=0.39670000
          MULT= 6          ISPLIT= 8
      -3: X=0.79740000 Y=0.13630000 Z=0.89670000
      -3: X=0.66110000 Y=0.79740000 Z=0.39670000
      -3: X=0.86370000 Y=0.66110000 Z=0.89670000
      -3: X=0.20260000 Y=0.86370000 Z=0.39670000
      -3: X=0.33890000 Y=0.20260000 Z=0.89670000
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=0.16990000
          MULT= 2          ISPLIT= 4
      -4: X=0.00000000 Y=0.00000000 Z=0.66990000
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=0.25300000 Y=0.13100000 Z=0.41100000
          MULT= 6          ISPLIT= 8
      -5: X=0.12200000 Y=0.25300000 Z=0.91100000
      -5: X=0.86900000 Y=0.12200000 Z=0.41100000
      -5: X=0.74700000 Y=0.86900000 Z=0.91100000
      -5: X=0.87800000 Y=0.74700000 Z=0.41100000
      -5: X=0.13100000 Y=0.87800000 Z=0.91100000
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=0.40700000 Y=0.21100000 Z=0.03100000
          MULT= 6          ISPLIT= 8
      -6: X=0.19600000 Y=0.40700000 Z=0.53100000
      -6: X=0.78900000 Y=0.19600000 Z=0.03100000
      -6: X=0.59300000 Y=0.78900000 Z=0.53100000
      -6: X=0.80400000 Y=0.59300000 Z=0.03100000
      -6: X=0.21100000 Y=0.80400000 Z=0.53100000
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=0.08300000 Y=0.54400000 Z=0.35600000
          MULT= 6          ISPLIT= 8
      -7: X=0.53900000 Y=0.08300000 Z=0.85600000
      -7: X=0.45600000 Y=0.53900000 Z=0.35600000
      -7: X=0.91700000 Y=0.45600000 Z=0.85600000
      -7: X=0.46100000 Y=0.91700000 Z=0.35600000
      -7: X=0.54400000 Y=0.46100000 Z=0.85600000
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=0.12800000 Y=0.24300000 Z=0.23200000
          MULT= 6          ISPLIT= 8
      -8: X=0.88500000 Y=0.12800000 Z=0.73200000
      -8: X=0.75700000 Y=0.88500000 Z=0.23200000
      -8: X=0.87200000 Y=0.75700000 Z=0.73200000
      -8: X=0.11500000 Y=0.87200000 Z=0.23200000
      -8: X=0.24300000 Y=0.11500000 Z=0.73200000
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