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=0.50000000 Z=0.50000000
          MULT= 1          ISPLIT= 8
Ti         NPT=  781  R0=.000050000 RMT= 2.00        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=0.84000000 Y=0.83000000 Z=0.00000000
          MULT= 2          ISPLIT= 8
      -2: X=0.16000000 Y=0.17000000 Z=0.00000000
Ti         NPT=  781  R0=.000050000 RMT= 2.00        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=0.84200000 Y=0.33100000 Z=0.00000000
          MULT= 2          ISPLIT= 8
      -3: X=0.15800000 Y=0.66900000 Z=0.00000000
Ti         NPT=  781  R0=.000050000 RMT= 2.00        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=0.67500000 Y=0.65700000 Z=0.00000000
          MULT= 2          ISPLIT= 8
      -4: X=0.32500000 Y=0.34300000 Z=0.00000000
O          NPT=  781  R0=.000100000 RMT= 1.81        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=0.67900000 Y=0.16700000 Z=0.00000000
          MULT= 2          ISPLIT= 8
      -5: X=0.32100000 Y=0.83300000 Z=0.00000000
O          NPT=  781  R0=.000100000 RMT= 1.81        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=0.00000000 Z=0.00000000
          MULT= 1          ISPLIT= 8
O          NPT=  781  R0=.000100000 RMT= 1.81        Z:   8.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000