H   LATTICE,NONEQUIV.ATOMS   3  176 P63/m                                      
MODE OF CALC=RELA unit=bohr                                                    
 16.894152 16.894152  8.503768 90.000000 90.000000120.000000                   
ATOM  -1: X=0.33333333 Y=0.66666667 Z=0.25000000
          MULT= 2          ISPLIT= 4
      -1: X=0.66666667 Y=0.33333333 Z=0.75000000
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=0.18600000 Y=0.15300000 Z=0.25000000
          MULT= 6          ISPLIT= 8
      -2: X=0.81400000 Y=0.84700000 Z=0.75000000
      -2: X=0.03300000 Y=0.18600000 Z=0.75000000
      -2: X=0.96700000 Y=0.81400000 Z=0.25000000
      -2: X=0.84700000 Y=0.03300000 Z=0.25000000
      -2: X=0.15300000 Y=0.96700000 Z=0.75000000
Mo         NPT=  781  R0=.000010000 RMT= 2.45        Z:  42.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -3: X=0.06600000 Y=0.36600000 Z=0.25000000
          MULT= 6          ISPLIT= 8
      -3: X=0.93400000 Y=0.63400000 Z=0.75000000
      -3: X=0.70000000 Y=0.06600000 Z=0.75000000
      -3: X=0.30000000 Y=0.93400000 Z=0.25000000
      -3: X=0.63400000 Y=0.70000000 Z=0.25000000
      -3: X=0.36600000 Y=0.30000000 Z=0.75000000
Se         NPT=  781  R0=.000050000 RMT= 2.28        Z:  34.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000