R   LATTICE,NONEQUIV.ATOMS   5  167 R-3c                                       
MODE OF CALC=RELA unit=bohr                                                    
  8.356370  8.356370 70.910085 90.000000 90.000000120.000000                   
ATOM  -1: X=0.00000000 Y=0.00000000 Z=0.00000000
          MULT= 2          ISPLIT= 4
      -1: X=0.50000000 Y=0.50000000 Z=0.50000000
K          NPT=  781  R0=.000050000 RMT= 2.50000     Z:  19.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -2: X=0.09880000 Y=0.09880000 Z=0.09880000
          MULT= 4          ISPLIT= 4
      -2: X=0.90120000 Y=0.90120000 Z=0.90120000
      -2: X=0.59880000 Y=0.59880000 Z=0.59880000
      -2: X=0.40120000 Y=0.40120000 Z=0.40120000
Be         NPT=  781  R0=.000100000 RMT= 1.28        Z:   4.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -3: X=0.25000000 Y=0.25000000 Z=0.25000000
          MULT= 2          ISPLIT= 4
      -3: X=0.75000000 Y=0.75000000 Z=0.75000000
B          NPT=  781  R0=.000100000 RMT= 1.19        Z:   5.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -4: X=0.55954000 Y=0.94046000 Z=0.25000000
          MULT= 6          ISPLIT= 8
      -4: X=0.44046000 Y=0.05954000 Z=0.75000000
      -4: X=0.94046000 Y=0.25000000 Z=0.55954000
      -4: X=0.05954000 Y=0.75000000 Z=0.44046000
      -4: X=0.25000000 Y=0.55954000 Z=0.94046000
      -4: X=0.75000000 Y=0.44046000 Z=0.05954000
O          NPT=  781  R0=.000100000 RMT= 1.38        Z:   8.00000              
LOCAL ROT MATRIX:    0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
                     1.0000000 0.0000000 0.0000000
ATOM  -5: X=0.13914000 Y=0.13914000 Z=0.13914000
          MULT= 4          ISPLIT= 4
      -5: X=0.86086000 Y=0.86086000 Z=0.86086000
      -5: X=0.63914000 Y=0.63914000 Z=0.63914000
      -5: X=0.36086000 Y=0.36086000 Z=0.36086000
F          NPT=  781  R0=.000100000 RMT= 1.56        Z:   9.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000