CXZ LATTICE,NONEQUIV.ATOMS   7   15 B2/b                                       
MODE OF CALC=RELA unit=bohr                                                    
 17.787992  9.543117 21.773425 90.000000 90.000000 88.950000                   
ATOM  -1: X=0.75850000 Y=0.24660000 Z=0.41360000
          MULT= 4          ISPLIT= 8
      -1: X=0.24150000 Y=0.75340000 Z=0.58640000
      -1: X=0.24150000 Y=0.25340000 Z=0.41360000
      -1: X=0.75850000 Y=0.74660000 Z=0.58640000
Ta         NPT=  781  R0=.000005000 RMT= 1.87        Z:  73.00000              
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=0.17010000
          MULT= 2          ISPLIT= 8
      -2: X=0.00000000 Y=0.75000000 Z=0.82990000
Ta         NPT=  781  R0=.000005000 RMT= 1.87        Z:  73.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -3: X=0.64590000 Y=0.44130000 Z=0.04840000
          MULT= 4          ISPLIT= 8
      -3: X=0.35410000 Y=0.55870000 Z=0.95160000
      -3: X=0.35410000 Y=0.05870000 Z=0.04840000
      -3: X=0.64590000 Y=0.94130000 Z=0.95160000
O          NPT=  781  R0=.000100000 RMT= 1.61        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  -4: X=0.88460000 Y=0.57300000 Z=0.17880000
          MULT= 4          ISPLIT= 8
      -4: X=0.11540000 Y=0.42700000 Z=0.82120000
      -4: X=0.11540000 Y=0.92700000 Z=0.17880000
      -4: X=0.88460000 Y=0.07300000 Z=0.82120000
O          NPT=  781  R0=.000100000 RMT= 1.61        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  -5: X=0.86680000 Y=0.07920000 Z=0.06250000
          MULT= 4          ISPLIT= 8
      -5: X=0.13320000 Y=0.92080000 Z=0.93750000
      -5: X=0.13320000 Y=0.42080000 Z=0.06250000
      -5: X=0.86680000 Y=0.57920000 Z=0.93750000
O          NPT=  781  R0=.000100000 RMT= 1.61        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=0.88150000 Y=0.10690000 Z=0.30330000
          MULT= 4          ISPLIT= 8
      -6: X=0.11850000 Y=0.89310000 Z=0.69670000
      -6: X=0.11850000 Y=0.39310000 Z=0.30330000
      -6: X=0.88150000 Y=0.60690000 Z=0.69670000
O          NPT=  781  R0=.000100000 RMT= 1.61        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=0.69660000
          MULT= 2          ISPLIT= 8
      -7: X=0.00000000 Y=0.75000000 Z=0.30340000
Li         NPT=  781  R0=.000100000 RMT= 1.71        Z:   3.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000