H   LATTICE,NONEQUIV.ATOMS   4  189 P-62m                                      
MODE OF CALC=RELA unit=bohr                                                    
 12.852972 12.852972  6.307339 90.000000 90.000000120.000000                   
ATOM  -1: X=0.00000000 Y=0.00000000 Z=0.00000000
          MULT= 1          ISPLIT= 4
B          NPT=  781  R0=.000100000 RMT= 1.93        Z:   5.00000              
LOCAL ROT MATRIX:    0.0000000 1.0000000 0.0000000
                    -1.0000000 0.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -2: X=0.33333333 Y=0.66666667 Z=0.50000000
          MULT= 2          ISPLIT= 4
      -2: X=0.66666667 Y=0.33333333 Z=0.50000000
Si         NPT=  781  R0=.000100000 RMT= 2.16        Z:  14.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -3: X=0.24180000 Y=0.00000000 Z=0.50000000
          MULT= 3          ISPLIT= 8
      -3: X=0.75820000 Y=0.75820000 Z=0.50000000
      -3: X=0.00000000 Y=0.24180000 Z=0.50000000
Ti         NPT=  781  R0=.000050000 RMT= 2.48        Z:  22.00000              
LOCAL ROT MATRIX:    0.0000000 0.5000000 0.8660254
                     0.0000000 0.8660254-0.5000000
                    -1.0000000 0.0000000 0.0000000
ATOM  -4: X=0.59960000 Y=0.00000000 Z=0.00000000
          MULT= 3          ISPLIT= 8
      -4: X=0.40040000 Y=0.40040000 Z=0.00000000
      -4: X=0.00000000 Y=0.59960000 Z=0.00000000
Ti         NPT=  781  R0=.000050000 RMT= 2.48        Z:  22.00000              
LOCAL ROT MATRIX:    0.0000000 0.5000000 0.8660254
                     0.0000000 0.8660254-0.5000000
                    -1.0000000 0.0000000 0.0000000