B   LATTICE,NONEQUIV.ATOMS   4   82 I-4                                        
MODE OF CALC=RELA unit=bohr                                                    
 19.445282 19.445282  9.713192 90.000000 90.000000 90.000000                   
ATOM  -1: X=0.08300000 Y=0.10200000 Z=0.26200000
          MULT= 4          ISPLIT= 8
      -1: X=0.10200000 Y=0.91700000 Z=0.73800000
      -1: X=0.91700000 Y=0.89800000 Z=0.26200000
      -1: X=0.89800000 Y=0.08300000 Z=0.73800000
Ti         NPT=  781  R0=.000050000 RMT= 2.40        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=0.14200000 Y=0.47600000 Z=0.00800000
          MULT= 4          ISPLIT= 8
      -2: X=0.47600000 Y=0.85800000 Z=0.99200000
      -2: X=0.85800000 Y=0.52400000 Z=0.00800000
      -2: X=0.52400000 Y=0.14200000 Z=0.99200000
Ti         NPT=  781  R0=.000050000 RMT= 2.40        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=0.31600000 Y=0.28400000 Z=0.24200000
          MULT= 4          ISPLIT= 8
      -3: X=0.28400000 Y=0.68400000 Z=0.75800000
      -3: X=0.68400000 Y=0.71600000 Z=0.24200000
      -3: X=0.71600000 Y=0.31600000 Z=0.75800000
Ti         NPT=  781  R0=.000050000 RMT= 2.40        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=0.29400000 Y=0.02600000 Z=0.02600000
          MULT= 4          ISPLIT= 8
      -4: X=0.02600000 Y=0.70600000 Z=0.97400000
      -4: X=0.70600000 Y=0.97400000 Z=0.02600000
      -4: X=0.97400000 Y=0.29400000 Z=0.97400000
Ge         NPT=  781  R0=.000050000 RMT= 2.40        Z:  32.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000