R   LATTICE,NONEQUIV.ATOMS   2  167 R-3c                                       
MODE OF CALC=RELA unit=bohr                                                    
 11.714035 11.714035 31.425388 90.000000 90.000000120.000000                   
ATOM  -1: X=0.55007000 Y=0.94993000 Z=0.25000000
          MULT= 6          ISPLIT= 8
      -1: X=0.44993000 Y=0.05007000 Z=0.75000000
      -1: X=0.94993000 Y=0.25000000 Z=0.55007000
      -1: X=0.05007000 Y=0.75000000 Z=0.44993000
      -1: X=0.25000000 Y=0.55007000 Z=0.94993000
      -1: X=0.75000000 Y=0.44993000 Z=0.05007000
Ca         NPT=  781  R0=.000050000 RMT= 2.32        Z:  20.00000              
LOCAL ROT MATRIX:    0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
                     1.0000000 0.0000000 0.0000000
ATOM  -2: X=0.14593000 Y=0.14593000 Z=0.14593000
          MULT= 4          ISPLIT= 4
      -2: X=0.85407000 Y=0.85407000 Z=0.85407000
      -2: X=0.64593000 Y=0.64593000 Z=0.64593000
      -2: X=0.35407000 Y=0.35407000 Z=0.35407000
N          NPT=  781  R0=.000100000 RMT= 2.21        Z:   7.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000