CXZ LATTICE,NONEQUIV.ATOMS   8   12 B2/m                                       
MODE OF CALC=RELA unit=bohr                                                    
 35.468270 17.293262  6.811707 90.000000 90.000000 76.000000                   
ATOM  -1: X=0.00000000 Y=0.50000000 Z=0.50000000
          MULT= 1          ISPLIT= 8
Rb         NPT=  781  R0=.000010000 RMT= 2.50000     Z:  37.00000              
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=0.00000000 Z=0.00000000
          MULT= 1          ISPLIT= 8
Ti         NPT=  781  R0=.000050000 RMT= 2.34        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=0.65800000 Y=0.01600000 Z=0.00000000
          MULT= 2          ISPLIT= 8
      -3: X=0.34200000 Y=0.98400000 Z=0.00000000
Ti         NPT=  781  R0=.000050000 RMT= 2.34        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=0.70500000 Y=0.66500000 Z=0.00000000
          MULT= 2          ISPLIT= 8
      -4: X=0.29500000 Y=0.33500000 Z=0.00000000
Ti         NPT=  781  R0=.000050000 RMT= 2.34        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=0.42600000 Y=0.16000000 Z=0.00000000
          MULT= 2          ISPLIT= 8
      -5: X=0.57400000 Y=0.84000000 Z=0.00000000
Se         NPT=  781  R0=.000050000 RMT= 2.34        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=0.91300000 Y=0.82600000 Z=0.00000000
          MULT= 2          ISPLIT= 8
      -6: X=0.08700000 Y=0.17400000 Z=0.00000000
Se         NPT=  781  R0=.000050000 RMT= 2.34        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=0.83100000 Y=0.49100000 Z=0.00000000
          MULT= 2          ISPLIT= 8
      -7: X=0.16900000 Y=0.50900000 Z=0.00000000
Se         NPT=  781  R0=.000050000 RMT= 2.34        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=0.76000000 Y=0.15800000 Z=0.00000000
          MULT= 2          ISPLIT= 8
      -8: X=0.24000000 Y=0.84200000 Z=0.00000000
Se         NPT=  781  R0=.000050000 RMT= 2.34        Z:  34.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000