R   LATTICE,NONEQUIV.ATOMS   4  167 R-3c                                       
MODE OF CALC=RELA unit=bohr                                                    
 22.552938 22.552938 12.225958 90.000000 90.000000120.000000                   
ATOM  -1: X=0.69600000 Y=0.80400000 Z=0.25000000
          MULT= 6          ISPLIT= 8
      -1: X=0.30400000 Y=0.19600000 Z=0.75000000
      -1: X=0.80400000 Y=0.25000000 Z=0.69600000
      -1: X=0.19600000 Y=0.75000000 Z=0.30400000
      -1: X=0.25000000 Y=0.69600000 Z=0.80400000
      -1: X=0.75000000 Y=0.30400000 Z=0.19600000
Na         NPT=  781  R0=.000100000 RMT= 2.36        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=0.36200000 Y=0.13800000 Z=0.25000000
          MULT= 6          ISPLIT= 8
      -2: X=0.63800000 Y=0.86200000 Z=0.75000000
      -2: X=0.13800000 Y=0.25000000 Z=0.36200000
      -2: X=0.86200000 Y=0.75000000 Z=0.63800000
      -2: X=0.25000000 Y=0.36200000 Z=0.13800000
      -2: X=0.75000000 Y=0.63800000 Z=0.86200000
B          NPT=  781  R0=.000100000 RMT= 1.16        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=0.47900000 Y=0.02100000 Z=0.25000000
          MULT= 6          ISPLIT= 8
      -3: X=0.52100000 Y=0.97900000 Z=0.75000000
      -3: X=0.02100000 Y=0.25000000 Z=0.47900000
      -3: X=0.97900000 Y=0.75000000 Z=0.52100000
      -3: X=0.25000000 Y=0.47900000 Z=0.02100000
      -3: X=0.75000000 Y=0.52100000 Z=0.97900000
O          NPT=  781  R0=.000100000 RMT= 1.35        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=0.13800000 Y=0.36200000 Z=0.25000000
          MULT= 6          ISPLIT= 8
      -4: X=0.86200000 Y=0.63800000 Z=0.75000000
      -4: X=0.36200000 Y=0.25000000 Z=0.13800000
      -4: X=0.63800000 Y=0.75000000 Z=0.86200000
      -4: X=0.25000000 Y=0.13800000 Z=0.36200000
      -4: X=0.75000000 Y=0.86200000 Z=0.63800000
O          NPT=  781  R0=.000100000 RMT= 1.35        Z:   8.00000              
LOCAL ROT MATRIX:    0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
                     1.0000000 0.0000000 0.0000000