CXZ LATTICE,NONEQUIV.ATOMS   8   15 B2/b                                       
MODE OF CALC=RELA unit=bohr                                                    
  9.749097 18.916348 16.916828 90.000000 90.000000 79.781000                   
ATOM  -1: X=0.73300000 Y=0.00300000 Z=0.08300000
          MULT= 4          ISPLIT= 8
      -1: X=0.26700000 Y=0.99700000 Z=0.91700000
      -1: X=0.26700000 Y=0.49700000 Z=0.08300000
      -1: X=0.73300000 Y=0.50300000 Z=0.91700000
Li         NPT=  781  R0=.000100000 RMT= 1.78        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  -2: X=0.75000000 Y=0.50000000 Z=0.25000000
          MULT= 2          ISPLIT= 8
      -2: X=0.25000000 Y=0.00000000 Z=0.25000000
Li         NPT=  781  R0=.000100000 RMT= 1.78        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  -3: X=0.00000000 Y=0.25000000 Z=0.41800000
          MULT= 2          ISPLIT= 8
      -3: X=0.00000000 Y=0.75000000 Z=0.58200000
Li         NPT=  781  R0=.000100000 RMT= 1.78        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  -4: X=0.00000000 Y=0.25000000 Z=0.08100000
          MULT= 2          ISPLIT= 8
      -4: X=0.00000000 Y=0.75000000 Z=0.91900000
Ti         NPT=  781  R0=.000050000 RMT= 1.94        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  -5: X=0.00000000 Y=0.25000000 Z=0.74900000
          MULT= 2          ISPLIT= 8
      -5: X=0.00000000 Y=0.75000000 Z=0.25100000
Ti         NPT=  781  R0=.000050000 RMT= 1.94        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  -6: X=0.85810000 Y=0.14140000 Z=0.23480000
          MULT= 4          ISPLIT= 8
      -6: X=0.14190000 Y=0.85860000 Z=0.76520000
      -6: X=0.14190000 Y=0.35860000 Z=0.23480000
      -6: X=0.85810000 Y=0.64140000 Z=0.76520000
O          NPT=  781  R0=.000100000 RMT= 1.76        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=0.89920000 Y=0.63880000 Z=0.08630000
          MULT= 4          ISPLIT= 8
      -7: X=0.10080000 Y=0.36120000 Z=0.91370000
      -7: X=0.10080000 Y=0.86120000 Z=0.08630000
      -7: X=0.89920000 Y=0.13880000 Z=0.91370000
O          NPT=  781  R0=.000100000 RMT= 1.76        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  -8: X=0.63950000 Y=0.36480000 Z=0.09240000
          MULT= 4          ISPLIT= 8
      -8: X=0.36050000 Y=0.63520000 Z=0.90760000
      -8: X=0.36050000 Y=0.13520000 Z=0.09240000
      -8: X=0.63950000 Y=0.86480000 Z=0.90760000
O          NPT=  781  R0=.000100000 RMT= 1.76        Z:   8.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000