H   LATTICE,NONEQUIV.ATOMS   3  176 P63/m                                      
MODE OF CALC=RELA unit=bohr                                                    
 18.672384 18.672384  6.779204 90.000000 90.000000120.000000                   
ATOM  -1: X=0.35820000 Y=0.48800000 Z=0.25000000
          MULT= 6          ISPLIT= 8
      -1: X=0.64180000 Y=0.51200000 Z=0.75000000
      -1: X=0.87020000 Y=0.35820000 Z=0.75000000
      -1: X=0.12980000 Y=0.64180000 Z=0.25000000
      -1: X=0.51200000 Y=0.87020000 Z=0.25000000
      -1: X=0.48800000 Y=0.12980000 Z=0.75000000
Ti         NPT=  781  R0=.000050000 RMT= 2.39        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=0.04960000 Y=0.35050000 Z=0.25000000
          MULT= 6          ISPLIT= 8
      -2: X=0.95040000 Y=0.64950000 Z=0.75000000
      -2: X=0.69910000 Y=0.04960000 Z=0.75000000
      -2: X=0.30090000 Y=0.95040000 Z=0.25000000
      -2: X=0.64950000 Y=0.69910000 Z=0.25000000
      -2: X=0.35050000 Y=0.30090000 Z=0.75000000
Se         NPT=  781  R0=.000050000 RMT= 2.39        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  -3: X=0.66666667 Y=0.33333333 Z=0.25000000
          MULT= 2          ISPLIT= 4
      -3: X=0.33333333 Y=0.66666667 Z=0.75000000
Se         NPT=  781  R0=.000050000 RMT= 2.39        Z:  34.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000