P   LATTICE,NONEQUIV.ATOMS   6  198 P213                                       
MODE OF CALC=RELA unit=bohr                                                    
 15.826456 15.826456 15.826456 90.000000 90.000000 90.000000                   
ATOM  -1: X=0.46800000 Y=0.46800000 Z=0.46800000
          MULT= 4          ISPLIT= 4
      -1: X=0.03200000 Y=0.53200000 Z=0.96800000
      -1: X=0.96800000 Y=0.03200000 Z=0.53200000
      -1: X=0.53200000 Y=0.96800000 Z=0.03200000
Na         NPT=  781  R0=.000100000 RMT= 2.22        Z:  11.00000              
LOCAL ROT MATRIX:    0.7071068 0.4082483 0.5773503
                    -0.7071068 0.4082483 0.5773503
                     0.0000000-0.8164966 0.5773503
ATOM  -2: X=0.25010000 Y=0.25010000 Z=0.25010000
          MULT= 4          ISPLIT= 4
      -2: X=0.24990000 Y=0.74990000 Z=0.75010000
      -2: X=0.75010000 Y=0.24990000 Z=0.74990000
      -2: X=0.74990000 Y=0.75010000 Z=0.24990000
Na         NPT=  781  R0=.000100000 RMT= 2.22        Z:  11.00000              
LOCAL ROT MATRIX:    0.7071068 0.4082483 0.5773503
                    -0.7071068 0.4082483 0.5773503
                     0.0000000-0.8164966 0.5773503
ATOM  -3: X=0.00730000 Y=0.00730000 Z=0.00730000
          MULT= 4          ISPLIT= 4
      -3: X=0.49270000 Y=0.99270000 Z=0.50730000
      -3: X=0.50730000 Y=0.49270000 Z=0.99270000
      -3: X=0.99270000 Y=0.50730000 Z=0.49270000
Mo         NPT=  781  R0=.000010000 RMT= 1.73        Z:  42.00000              
LOCAL ROT MATRIX:    0.7071068 0.4082483 0.5773503
                    -0.7071068 0.4082483 0.5773503
                     0.0000000-0.8164966 0.5773503
ATOM  -4: X=0.67270000 Y=0.67270000 Z=0.67270000
          MULT= 4          ISPLIT= 4
      -4: X=0.82730000 Y=0.32730000 Z=0.17270000
      -4: X=0.17270000 Y=0.82730000 Z=0.32730000
      -4: X=0.32730000 Y=0.17270000 Z=0.82730000
Se         NPT=  781  R0=.000050000 RMT= 1.68        Z:  34.00000              
LOCAL ROT MATRIX:    0.7071068 0.4082483 0.5773503
                    -0.7071068 0.4082483 0.5773503
                     0.0000000-0.8164966 0.5773503
ATOM  -5: X=0.00240000 Y=0.25530000 Z=0.09840000
          MULT=12          ISPLIT= 8
      -5: X=0.49760000 Y=0.74470000 Z=0.59840000
      -5: X=0.50240000 Y=0.24470000 Z=0.90160000
      -5: X=0.09840000 Y=0.00240000 Z=0.25530000
      -5: X=0.99760000 Y=0.75530000 Z=0.40160000
      -5: X=0.40160000 Y=0.99760000 Z=0.75530000
      -5: X=0.59840000 Y=0.49760000 Z=0.74470000
      -5: X=0.90160000 Y=0.50240000 Z=0.24470000
      -5: X=0.25530000 Y=0.09840000 Z=0.00240000
      -5: X=0.24470000 Y=0.90160000 Z=0.50240000
      -5: X=0.75530000 Y=0.40160000 Z=0.99760000
      -5: X=0.74470000 Y=0.59840000 Z=0.49760000
O          NPT=  781  R0=.000100000 RMT= 1.52        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=0.18940000 Y=0.48530000 Z=0.42410000
          MULT=12          ISPLIT= 8
      -6: X=0.31060000 Y=0.51470000 Z=0.92410000
      -6: X=0.68940000 Y=0.01470000 Z=0.57590000
      -6: X=0.42410000 Y=0.18940000 Z=0.48530000
      -6: X=0.81060000 Y=0.98530000 Z=0.07590000
      -6: X=0.07590000 Y=0.81060000 Z=0.98530000
      -6: X=0.92410000 Y=0.31060000 Z=0.51470000
      -6: X=0.57590000 Y=0.68940000 Z=0.01470000
      -6: X=0.48530000 Y=0.42410000 Z=0.18940000
      -6: X=0.01470000 Y=0.57590000 Z=0.68940000
      -6: X=0.98530000 Y=0.07590000 Z=0.81060000
      -6: X=0.51470000 Y=0.92410000 Z=0.31060000
O          NPT=  781  R0=.000100000 RMT= 1.52        Z:   8.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000