R   LATTICE,NONEQUIV.ATOMS   4  166 R-3m                                       
MODE OF CALC=RELA unit=bohr                                                    
 13.902716 13.902716 40.270063 90.000000 90.000000120.000000                   
ATOM  -1: X=0.19890000 Y=0.19890000 Z=0.19890000
          MULT= 2          ISPLIT= 4
      -1: X=0.80110000 Y=0.80110000 Z=0.80110000
Cs         NPT=  781  R0=.000010000 RMT= 2.50000     Z:  55.00000              
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= 2.41        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= 2.41        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=0.77020000 Y=0.28289000 Z=0.77020000
          MULT= 6          ISPLIT= 8
      -4: X=0.22980000 Y=0.71711000 Z=0.22980000
      -4: X=0.28289000 Y=0.77020000 Z=0.77020000
      -4: X=0.71711000 Y=0.22980000 Z=0.22980000
      -4: X=0.77020000 Y=0.77020000 Z=0.28289000
      -4: X=0.22980000 Y=0.22980000 Z=0.71711000
Se         NPT=  781  R0=.000050000 RMT= 2.18        Z:  34.00000              
LOCAL ROT MATRIX:    0.0000000-0.5000000 0.8660254
                     0.0000000-0.8660254-0.5000000
                     1.0000000 0.0000000 0.0000000