CXZ LATTICE,NONEQUIV.ATOMS   7   15 B2/b                                       
MODE OF CALC=RELA unit=bohr                                                    
 11.888267 18.976630 19.358355 90.000000 90.000000 73.200000                   
ATOM  -1: X=0.00000000 Y=0.25000000 Z=0.59250000
          MULT= 2          ISPLIT= 8
      -1: X=0.00000000 Y=0.75000000 Z=0.40750000
Nb         NPT=  781  R0=.000010000 RMT= 1.86        Z:  41.00000              
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=0.16810000
          MULT= 2          ISPLIT= 8
      -2: X=0.00000000 Y=0.75000000 Z=0.83190000
Na         NPT=  781  R0=.000100000 RMT= 2.14        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  -3: X=0.83060000 Y=0.55080000 Z=0.11470000
          MULT= 4          ISPLIT= 8
      -3: X=0.16940000 Y=0.44920000 Z=0.88530000
      -3: X=0.16940000 Y=0.94920000 Z=0.11470000
      -3: X=0.83060000 Y=0.05080000 Z=0.88530000
Na         NPT=  781  R0=.000100000 RMT= 2.14        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  -4: X=0.83240000 Y=0.07880000 Z=0.34340000
          MULT= 4          ISPLIT= 8
      -4: X=0.16760000 Y=0.92120000 Z=0.65660000
      -4: X=0.16760000 Y=0.42120000 Z=0.34340000
      -4: X=0.83240000 Y=0.57880000 Z=0.65660000
Na         NPT=  781  R0=.000100000 RMT= 2.14        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  -5: X=0.79590000 Y=0.10600000 Z=0.10730000
          MULT= 4          ISPLIT= 8
      -5: X=0.20410000 Y=0.89400000 Z=0.89270000
      -5: X=0.20410000 Y=0.39400000 Z=0.10730000
      -5: X=0.79590000 Y=0.60600000 Z=0.89270000
O          NPT=  781  R0=.000100000 RMT= 1.69        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=0.63010000 Y=0.38120000 Z=0.16990000
          MULT= 4          ISPLIT= 8
      -6: X=0.36990000 Y=0.61880000 Z=0.83010000
      -6: X=0.36990000 Y=0.11880000 Z=0.16990000
      -6: X=0.63010000 Y=0.88120000 Z=0.83010000
O          NPT=  781  R0=.000100000 RMT= 1.69        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=0.00000000 Y=0.25000000 Z=0.40810000
          MULT= 2          ISPLIT= 8
      -7: X=0.00000000 Y=0.75000000 Z=0.59190000
O          NPT=  781  R0=.000100000 RMT= 1.69        Z:   8.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000