CXZ LATTICE,NONEQUIV.ATOMS   8   12 B2/m                                       
MODE OF CALC=RELA unit=bohr                                                    
 35.475829 17.208791  6.771645 90.000000 90.000000 75.870000                   
ATOM  -1: X=0.00000000 Y=0.00000000 Z=0.50000000
          MULT= 1          ISPLIT= 8
Tl         NPT=  781  R0=.000005000 RMT= 2.50000     Z:  81.00000              
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=0.50000000 Z=0.00000000
          MULT= 1          ISPLIT= 8
Ti         NPT=  781  R0=.000050000 RMT= 2.36        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=0.70810000 Y=0.15100000 Z=0.00000000
          MULT= 2          ISPLIT= 8
      -3: X=0.29190000 Y=0.84900000 Z=0.00000000
Ti         NPT=  781  R0=.000050000 RMT= 2.36        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=0.65400000 Y=0.50610000 Z=0.00000000
          MULT= 2          ISPLIT= 8
      -4: X=0.34600000 Y=0.49390000 Z=0.00000000
Ti         NPT=  781  R0=.000050000 RMT= 2.36        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=0.83940000 Y=0.00070000 Z=0.00000000
          MULT= 2          ISPLIT= 8
      -5: X=0.16060000 Y=0.99930000 Z=0.00000000
Se         NPT=  781  R0=.000050000 RMT= 2.36        Z:  34.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -6: X=0.75840000 Y=0.66180000 Z=0.00000000
          MULT= 2          ISPLIT= 8
      -6: X=0.24160000 Y=0.33820000 Z=0.00000000
Se         NPT=  781  R0=.000050000 RMT= 2.36        Z:  34.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -7: X=0.91400000 Y=0.31620000 Z=0.00000000
          MULT= 2          ISPLIT= 8
      -7: X=0.08600000 Y=0.68380000 Z=0.00000000
Se         NPT=  781  R0=.000050000 RMT= 2.36        Z:  34.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -8: X=0.57320000 Y=0.32330000 Z=0.00000000
          MULT= 2          ISPLIT= 8
      -8: X=0.42680000 Y=0.67670000 Z=0.00000000
Se         NPT=  781  R0=.000050000 RMT= 2.36        Z:  34.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000