R   LATTICE,NONEQUIV.ATOMS   4  166 R-3m                                       
MODE OF CALC=RELA unit=bohr                                                    
  7.179448  7.179448 34.193837 90.000000 90.000000120.000000                   
ATOM  -1: X=0.00000000 Y=0.00000000 Z=0.00000000
          MULT= 1          ISPLIT= 4
Ca         NPT=  781  R0=.000050000 RMT= 2.09        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  -2: X=0.50000000 Y=0.50000000 Z=0.50000000
          MULT= 1          ISPLIT= 4
Ca         NPT=  781  R0=.000050000 RMT= 2.09        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=0.12600000 Y=0.12600000 Z=0.12600000
          MULT= 2          ISPLIT= 4
      -3: X=0.87400000 Y=0.87400000 Z=0.87400000
F          NPT=  781  R0=.000100000 RMT= 2.19        Z:   9.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -4: X=0.37400000 Y=0.37400000 Z=0.37400000
          MULT= 2          ISPLIT= 4
      -4: X=0.62600000 Y=0.62600000 Z=0.62600000
F          NPT=  781  R0=.000100000 RMT= 2.19        Z:   9.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000