CXZ LATTICE,NONEQUIV.ATOMS   9   15 B2/b                                       
MODE OF CALC=RELA unit=bohr                                                    
 17.752087 28.842323 20.250305 90.000000 90.000000 74.626000                   
ATOM  -1: X=0.84122000 Y=0.36337000 Z=0.41283000
          MULT= 4          ISPLIT= 8
      -1: X=0.15878000 Y=0.63663000 Z=0.58717000
      -1: X=0.15878000 Y=0.13663000 Z=0.41283000
      -1: X=0.84122000 Y=0.86337000 Z=0.58717000
Sn         NPT=  781  R0=.000010000 RMT= 2.43        Z:  50.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -2: X=0.00000000 Y=0.25000000 Z=0.54564000
          MULT= 2          ISPLIT= 8
      -2: X=0.00000000 Y=0.75000000 Z=0.45436000
S          NPT=  781  R0=.000100000 RMT= 1.99        Z:  16.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -3: X=0.62365000 Y=0.31941000 Z=0.36689000
          MULT= 4          ISPLIT= 8
      -3: X=0.37635000 Y=0.68059000 Z=0.63311000
      -3: X=0.37635000 Y=0.18059000 Z=0.36689000
      -3: X=0.62365000 Y=0.81941000 Z=0.63311000
S          NPT=  781  R0=.000100000 RMT= 1.99        Z:  16.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -4: X=0.95794000 Y=0.39490000 Z=0.23048000
          MULT= 4          ISPLIT= 8
      -4: X=0.04206000 Y=0.60510000 Z=0.76952000
      -4: X=0.04206000 Y=0.10510000 Z=0.23048000
      -4: X=0.95794000 Y=0.89490000 Z=0.76952000
S          NPT=  781  R0=.000100000 RMT= 1.99        Z:  16.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -5: X=0.70321000 Y=0.01670000 Z=0.06182000
          MULT= 4          ISPLIT= 8
      -5: X=0.29679000 Y=0.98330000 Z=0.93818000
      -5: X=0.29679000 Y=0.48330000 Z=0.06182000
      -5: X=0.70321000 Y=0.51670000 Z=0.93818000
S          NPT=  781  R0=.000100000 RMT= 1.99        Z:  16.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -6: X=0.00000000 Y=0.00000000 Z=0.00000000
          MULT= 2          ISPLIT= 8
      -6: X=0.00000000 Y=0.50000000 Z=0.00000000
Na         NPT=  781  R0=.000100000 RMT= 2.50000     Z:  11.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -7: X=0.00000000 Y=0.25000000 Z=0.06994000
          MULT= 2          ISPLIT= 8
      -7: X=0.00000000 Y=0.75000000 Z=0.93006000
Na         NPT=  781  R0=.000100000 RMT= 2.50000     Z:  11.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -8: X=0.60406000 Y=0.42449000 Z=0.14322000
          MULT= 4          ISPLIT= 8
      -8: X=0.39594000 Y=0.57551000 Z=0.85678000
      -8: X=0.39594000 Y=0.07551000 Z=0.14322000
      -8: X=0.60406000 Y=0.92449000 Z=0.85678000
Na         NPT=  781  R0=.000100000 RMT= 2.50000     Z:  11.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -9: X=0.72541000 Y=0.13730000 Z=0.27279000
          MULT= 4          ISPLIT= 8
      -9: X=0.27459000 Y=0.86270000 Z=0.72721000
      -9: X=0.27459000 Y=0.36270000 Z=0.27279000
      -9: X=0.72541000 Y=0.63730000 Z=0.72721000
Na         NPT=  781  R0=.000100000 RMT= 2.50000     Z:  11.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000