R   LATTICE,NONEQUIV.ATOMS   3  148 R-3                                        
MODE OF CALC=RELA unit=bohr                                                    
  9.807680  9.807680 27.571105 90.000000 90.000000120.000000                   
ATOM  -1: X=0.00000000 Y=0.00000000 Z=0.00000000
          MULT= 1          ISPLIT= 4
Pd         NPT=  781  R0=.000010000 RMT= 1.87        Z:  46.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -2: X=0.50000000 Y=0.50000000 Z=0.50000000
          MULT= 1          ISPLIT= 4
Ca         NPT=  781  R0=.000050000 RMT= 2.03        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=0.09500000 Y=0.36400000 Z=0.75100000
          MULT= 6          ISPLIT= 8
      -3: X=0.90500000 Y=0.63600000 Z=0.24900000
      -3: X=0.36400000 Y=0.75100000 Z=0.09500000
      -3: X=0.63600000 Y=0.24900000 Z=0.90500000
      -3: X=0.75100000 Y=0.09500000 Z=0.36400000
      -3: X=0.24900000 Y=0.90500000 Z=0.63600000
F          NPT=  781  R0=.000100000 RMT= 1.69        Z:   9.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000