R   LATTICE,NONEQUIV.ATOMS   4  166 R-3m                                       
MODE OF CALC=RELA unit=bohr                                                    
 11.708745 11.708745 29.109343 90.000000 90.000000120.000000                   
ATOM  -1: X=0.50000000 Y=0.50000000 Z=0.00000000
          MULT= 3          ISPLIT= 8
      -1: X=0.50000000 Y=0.00000000 Z=0.50000000
      -1: X=0.00000000 Y=0.50000000 Z=0.50000000
Pt         NPT=  781  R0=.000005000 RMT= 2.09        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  -2: X=0.14500000 Y=0.14500000 Z=0.14500000
          MULT= 2          ISPLIT= 4
      -2: X=0.85500000 Y=0.85500000 Z=0.85500000
Ca         NPT=  781  R0=.000050000 RMT= 2.15        Z:  20.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -3: X=0.88600000 Y=0.44000000 Z=0.88600000
          MULT= 6          ISPLIT= 8
      -3: X=0.11400000 Y=0.56000000 Z=0.11400000
      -3: X=0.44000000 Y=0.88600000 Z=0.88600000
      -3: X=0.56000000 Y=0.11400000 Z=0.11400000
      -3: X=0.88600000 Y=0.88600000 Z=0.44000000
      -3: X=0.11400000 Y=0.11400000 Z=0.56000000
O          NPT=  781  R0=.000100000 RMT= 1.71        Z:   8.00000              
LOCAL ROT MATRIX:    0.0000000-0.5000000 0.8660254
                     0.0000000-0.8660254-0.5000000
                     1.0000000 0.0000000 0.0000000
ATOM  -4: X=0.39700000 Y=0.39700000 Z=0.39700000
          MULT= 2          ISPLIT= 4
      -4: X=0.60300000 Y=0.60300000 Z=0.60300000
O          NPT=  781  R0=.000100000 RMT= 1.71        Z:   8.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000