CXZ LATTICE,NONEQUIV.ATOMS   6   12 B2/m                                       
MODE OF CALC=RELA unit=bohr                                                    
 17.650042 11.064347  7.827246 90.000000 90.000000 72.470000                   
ATOM  -1: X=0.00000000 Y=0.00000000 Z=0.00000000
          MULT= 1          ISPLIT= 8
Ti         NPT=  781  R0=.000050000 RMT= 1.92        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  -2: X=0.66400000 Y=0.66400000 Z=0.00000000
          MULT= 2          ISPLIT= 8
      -2: X=0.33600000 Y=0.33600000 Z=0.00000000
Ti         NPT=  781  R0=.000050000 RMT= 1.92        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  -3: X=0.66000000 Y=0.16660000 Z=0.00000000
          MULT= 2          ISPLIT= 8
      -3: X=0.34000000 Y=0.83340000 Z=0.00000000
Ti         NPT=  781  R0=.000050000 RMT= 1.92        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  -4: X=0.18100000 Y=0.17600000 Z=0.00000000
          MULT= 2          ISPLIT= 8
      -4: X=0.81900000 Y=0.82400000 Z=0.00000000
O          NPT=  781  R0=.000100000 RMT= 1.74        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=0.83500000 Y=0.31900000 Z=0.00000000
          MULT= 2          ISPLIT= 8
      -5: X=0.16500000 Y=0.68100000 Z=0.00000000
O          NPT=  781  R0=.000100000 RMT= 1.74        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=0.00000000 Y=0.50000000 Z=0.50000000
          MULT= 1          ISPLIT= 8
O          NPT=  781  R0=.000100000 RMT= 1.74        Z:   8.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000