R   LATTICE,NONEQUIV.ATOMS   4  167 R-3c                                       
MODE OF CALC=RELA unit=bohr                                                    
 22.534984 22.534984 12.167942 90.000000 90.000000120.000000                   
ATOM  -1: X=0.68710000 Y=0.81290000 Z=0.25000000
          MULT= 6          ISPLIT= 8
      -1: X=0.31290000 Y=0.18710000 Z=0.75000000
      -1: X=0.81290000 Y=0.25000000 Z=0.68710000
      -1: X=0.18710000 Y=0.75000000 Z=0.31290000
      -1: X=0.25000000 Y=0.68710000 Z=0.81290000
      -1: X=0.75000000 Y=0.31290000 Z=0.18710000
Na         NPT=  781  R0=.000100000 RMT= 2.31        Z:  11.00000              
LOCAL ROT MATRIX:    0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
                     1.0000000 0.0000000 0.0000000
ATOM  -2: X=0.37340000 Y=0.12660000 Z=0.25000000
          MULT= 6          ISPLIT= 8
      -2: X=0.62660000 Y=0.87340000 Z=0.75000000
      -2: X=0.12660000 Y=0.25000000 Z=0.37340000
      -2: X=0.87340000 Y=0.75000000 Z=0.62660000
      -2: X=0.25000000 Y=0.37340000 Z=0.12660000
      -2: X=0.75000000 Y=0.62660000 Z=0.87340000
B          NPT=  781  R0=.000100000 RMT= 1.11        Z:   5.00000              
LOCAL ROT MATRIX:    0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
                     1.0000000 0.0000000 0.0000000
ATOM  -3: X=0.48070000 Y=0.01930000 Z=0.25000000
          MULT= 6          ISPLIT= 8
      -3: X=0.51930000 Y=0.98070000 Z=0.75000000
      -3: X=0.01930000 Y=0.25000000 Z=0.48070000
      -3: X=0.98070000 Y=0.75000000 Z=0.51930000
      -3: X=0.25000000 Y=0.48070000 Z=0.01930000
      -3: X=0.75000000 Y=0.51930000 Z=0.98070000
O          NPT=  781  R0=.000100000 RMT= 1.29        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  -4: X=0.13330000 Y=0.36670000 Z=0.25000000
          MULT= 6          ISPLIT= 8
      -4: X=0.86670000 Y=0.63330000 Z=0.75000000
      -4: X=0.36670000 Y=0.25000000 Z=0.13330000
      -4: X=0.63330000 Y=0.75000000 Z=0.86670000
      -4: X=0.25000000 Y=0.13330000 Z=0.36670000
      -4: X=0.75000000 Y=0.86670000 Z=0.63330000
O          NPT=  781  R0=.000100000 RMT= 1.29        Z:   8.00000              
LOCAL ROT MATRIX:    0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
                     1.0000000 0.0000000 0.0000000