R   LATTICE,NONEQUIV.ATOMS   6  148 R-3                                        
MODE OF CALC=RELA unit=bohr                                                    
 18.256646 18.256646 46.402227 90.000000 90.000000120.000000                   
ATOM  -1: X=0.37387000 Y=0.37387000 Z=0.37387000
          MULT= 2          ISPLIT= 4
      -1: X=0.62613000 Y=0.62613000 Z=0.62613000
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=0.30689000 Y=0.99159000 Z=0.11753000
          MULT= 6          ISPLIT= 8
      -2: X=0.69311000 Y=0.00841000 Z=0.88247000
      -2: X=0.99159000 Y=0.11753000 Z=0.30689000
      -2: X=0.00841000 Y=0.88247000 Z=0.69311000
      -2: X=0.11753000 Y=0.30689000 Z=0.99159000
      -2: X=0.88247000 Y=0.69311000 Z=0.00841000
Mo         NPT=  781  R0=.000010000 RMT= 2.37        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  -3: X=0.19589000 Y=0.06125000 Z=0.87666000
          MULT= 6          ISPLIT= 8
      -3: X=0.80411000 Y=0.93875000 Z=0.12334000
      -3: X=0.06125000 Y=0.87666000 Z=0.19589000
      -3: X=0.93875000 Y=0.12334000 Z=0.80411000
      -3: X=0.87666000 Y=0.19589000 Z=0.06125000
      -3: X=0.12334000 Y=0.80411000 Z=0.93875000
Mo         NPT=  781  R0=.000010000 RMT= 2.37        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=0.22031000 Y=0.22031000 Z=0.22031000
          MULT= 2          ISPLIT= 4
      -4: X=0.77969000 Y=0.77969000 Z=0.77969000
Se         NPT=  781  R0=.000050000 RMT= 2.37        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=0.58020000 Y=0.82960000 Z=0.19830000
          MULT= 6          ISPLIT= 8
      -5: X=0.41980000 Y=0.17040000 Z=0.80170000
      -5: X=0.82960000 Y=0.19830000 Z=0.58020000
      -5: X=0.17040000 Y=0.80170000 Z=0.41980000
      -5: X=0.19830000 Y=0.58020000 Z=0.82960000
      -5: X=0.80170000 Y=0.41980000 Z=0.17040000
Se         NPT=  781  R0=.000050000 RMT= 2.37        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  -6: X=0.37290000 Y=0.75671000 Z=0.01310000
          MULT= 6          ISPLIT= 8
      -6: X=0.62710000 Y=0.24329000 Z=0.98690000
      -6: X=0.75671000 Y=0.01310000 Z=0.37290000
      -6: X=0.24329000 Y=0.98690000 Z=0.62710000
      -6: X=0.01310000 Y=0.37290000 Z=0.75671000
      -6: X=0.98690000 Y=0.62710000 Z=0.24329000
Se         NPT=  781  R0=.000050000 RMT= 2.37        Z:  34.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000