CXZ LATTICE,NONEQUIV.ATOMS  10   15 B2/b                                       
MODE OF CALC=RELA unit=bohr                                                    
 33.218173 22.827136 18.217716 90.000000 90.000000 46.595000                   
ATOM  -1: X=0.64618000 Y=0.22311000 Z=0.24573000
          MULT= 4          ISPLIT= 8
      -1: X=0.35382000 Y=0.77689000 Z=0.75427000
      -1: X=0.35382000 Y=0.27689000 Z=0.24573000
      -1: X=0.64618000 Y=0.72311000 Z=0.75427000
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  -2: X=0.90023000 Y=0.46496000 Z=0.01352000
          MULT= 4          ISPLIT= 8
      -2: X=0.09977000 Y=0.53504000 Z=0.98648000
      -2: X=0.09977000 Y=0.03504000 Z=0.01352000
      -2: X=0.90023000 Y=0.96496000 Z=0.98648000
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  -3: X=0.00000000 Y=0.25000000 Z=0.49218000
          MULT= 2          ISPLIT= 8
      -3: X=0.00000000 Y=0.75000000 Z=0.50782000
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  -4: X=0.69270000 Y=0.37280000 Z=0.00150000
          MULT= 4          ISPLIT= 8
      -4: X=0.30730000 Y=0.62720000 Z=0.99850000
      -4: X=0.30730000 Y=0.12720000 Z=0.00150000
      -4: X=0.69270000 Y=0.87280000 Z=0.99850000
Li         NPT=  781  R0=.000100000 RMT= 2.08        Z:   3.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -5: X=0.75000000 Y=0.50000000 Z=0.25000000
          MULT= 2          ISPLIT= 8
      -5: X=0.25000000 Y=0.00000000 Z=0.25000000
Li         NPT=  781  R0=.000100000 RMT= 2.08        Z:   3.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -6: X=0.91629000 Y=0.13513000 Z=0.26496000
          MULT= 4          ISPLIT= 8
      -6: X=0.08371000 Y=0.86487000 Z=0.73504000
      -6: X=0.08371000 Y=0.36487000 Z=0.26496000
      -6: X=0.91629000 Y=0.63513000 Z=0.73504000
Ti         NPT=  781  R0=.000050000 RMT= 2.26        Z:  22.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -7: X=0.91401000 Y=0.49471000 Z=0.29635000
          MULT= 4          ISPLIT= 8
      -7: X=0.08599000 Y=0.50529000 Z=0.70365000
      -7: X=0.08599000 Y=0.00529000 Z=0.29635000
      -7: X=0.91401000 Y=0.99471000 Z=0.70365000
S          NPT=  781  R0=.000100000 RMT= 1.95        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  -8: X=0.87138000 Y=0.24944000 Z=0.05352000
          MULT= 4          ISPLIT= 8
      -8: X=0.12862000 Y=0.75056000 Z=0.94648000
      -8: X=0.12862000 Y=0.25056000 Z=0.05352000
      -8: X=0.87138000 Y=0.74944000 Z=0.94648000
S          NPT=  781  R0=.000100000 RMT= 1.95        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  -9: X=0.82173000 Y=0.30814000 Z=0.43767000
          MULT= 4          ISPLIT= 8
      -9: X=0.17827000 Y=0.69186000 Z=0.56233000
      -9: X=0.17827000 Y=0.19186000 Z=0.43767000
      -9: X=0.82173000 Y=0.80814000 Z=0.56233000
S          NPT=  781  R0=.000100000 RMT= 1.95        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 -10: X=0.61399000 Y=0.02010000 Z=0.21970000
          MULT= 4          ISPLIT= 8
     -10: X=0.38601000 Y=0.97990000 Z=0.78030000
     -10: X=0.38601000 Y=0.47990000 Z=0.21970000
     -10: X=0.61399000 Y=0.52010000 Z=0.78030000
S          NPT=  781  R0=.000100000 RMT= 1.95        Z:  16.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000