H   LATTICE,NONEQUIV.ATOMS   4  164 P-3m1                                      
MODE OF CALC=RELA unit=bohr                                                    
 13.984918 13.984918 10.775596 90.000000 90.000000120.000000                   
ATOM  -1: X=0.33333333 Y=0.66666667 Z=0.35020000
          MULT= 2          ISPLIT= 4
      -1: X=0.66666667 Y=0.33333333 Z=0.64980000
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=0.00000000 Y=0.00000000 Z=0.00000000
          MULT= 1          ISPLIT= 4
Pt         NPT=  781  R0=.000005000 RMT= 2.43        Z:  78.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -3: X=0.50000000 Y=0.00000000 Z=0.00000000
          MULT= 3          ISPLIT= 8
      -3: X=0.00000000 Y=0.50000000 Z=0.00000000
      -3: X=0.50000000 Y=0.50000000 Z=0.00000000
Pt         NPT=  781  R0=.000005000 RMT= 2.43        Z:  78.00000              
LOCAL ROT MATRIX:    0.0000000-0.5000000 0.8660254
                     0.0000000-0.8660254-0.5000000
                     1.0000000 0.0000000 0.0000000
ATOM  -4: X=0.83100000 Y=0.16900000 Z=0.22090000
          MULT= 6          ISPLIT= 8
      -4: X=0.16900000 Y=0.83100000 Z=0.77910000
      -4: X=0.83100000 Y=0.66200000 Z=0.22090000
      -4: X=0.16900000 Y=0.33800000 Z=0.77910000
      -4: X=0.33800000 Y=0.16900000 Z=0.22090000
      -4: X=0.66200000 Y=0.83100000 Z=0.77910000
Se         NPT=  781  R0=.000050000 RMT= 2.20        Z:  34.00000              
LOCAL ROT MATRIX:    0.0000000 0.5000000 0.8660254
                     0.0000000-0.8660254 0.5000000
                     1.0000000 0.0000000 0.0000000