R   LATTICE,NONEQUIV.ATOMS   4  166 R-3m                                       
MODE OF CALC=RELA unit=bohr                                                    
 13.895157 13.895157 36.558643 90.000000 90.000000120.000000                   
ATOM  -1: X=0.20010000 Y=0.20010000 Z=0.20010000
          MULT= 2          ISPLIT= 4
      -1: X=0.79990000 Y=0.79990000 Z=0.79990000
K          NPT=  781  R0=.000050000 RMT= 2.50000     Z:  19.00000              
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= 2.42        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=0.50000000 Z=0.00000000
          MULT= 3          ISPLIT= 8
      -3: X=0.50000000 Y=0.00000000 Z=0.50000000
      -3: X=0.00000000 Y=0.50000000 Z=0.50000000
Pt         NPT=  781  R0=.000005000 RMT= 2.42        Z:  78.00000              
LOCAL ROT MATRIX:    0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
                     1.0000000 0.0000000 0.0000000
ATOM  -4: X=0.76400000 Y=0.27579000 Z=0.76400000
          MULT= 6          ISPLIT= 8
      -4: X=0.23600000 Y=0.72421000 Z=0.23600000
      -4: X=0.27579000 Y=0.76400000 Z=0.76400000
      -4: X=0.72421000 Y=0.23600000 Z=0.23600000
      -4: X=0.76400000 Y=0.76400000 Z=0.27579000
      -4: X=0.23600000 Y=0.23600000 Z=0.72421000
Se         NPT=  781  R0=.000050000 RMT= 2.19        Z:  34.00000              
LOCAL ROT MATRIX:    0.0000000-0.5000000 0.8660254
                     0.0000000-0.8660254-0.5000000
                     1.0000000 0.0000000 0.0000000