How to use GREP and put the results on diferent columns but on the same lines - sed

Question

Right here I have an example of an input that I want to use to generate a specific output.
1.2840 -1.6830 1.4460 C
1.5660 -0.8240 0.2163 C
0.5584 0.2995 -0.0595 C
-0.8805 -0.1514 -0.2412 C
-1.6205 -0.3785 0.8741 O
-1.4770 0.3883 2.0816 C
-1.3875 -0.2971 -1.3503 O
-2.0561 1.7788 1.8987 C
1.8097 -1.5560 -0.8246 O
2.8979 -0.2777 0.3226 N
1.2555 -1.0711 2.3543 H
0.3266 -2.2122 1.3666 H
2.0525 -2.4514 1.6103 H
0.8193 0.8445 -0.9811 H
0.6122 1.0718 0.7144 H
-0.4400 0.4244 2.4204 H
-2.0425 -0.1400 2.8563 H
-3.0985 1.7209 1.5688 H
-1.5098 2.3359 1.1312 H
-2.0131 2.3425 2.8349 H
3.1017 0.3084 1.1257 H
3.4860 -1.1139 0.2817 H
3.0712 0.1760 -0.5761 H
The last column corresponds to atoms of a molecule and the other columns are the coordinates of these atoms.
In the original file I have a lot of lines like on this example and a lot of other things, using some codes I could (with grep) catch these lines and isolate than in one unique file.
But, the problem is that the column corresponding to the atoms is to the right of the coordinates, and I need it to be to the left of the coordinates in my output. Is there any way to do this?
I was thinking of grep because I'm using it to extract the coordinates and atoms from my original file, but it is not working until now.
Below is what I need, exactly:
C 1.2840 -1.6830 1.4460
C 1.5660 -0.8240 0.2163
C 0.5584 0.2995 -0.0595
C -0.8805 -0.1514 -0.2412
O -1.6205 -0.3785 0.8741
C -1.4770 0.3883 2.0816
O -1.3875 -0.2971 -1.3503
C -2.0561 1.7788 1.8987
O 1.8097 -1.5560 -0.8246
N 2.8979 -0.2777 0.3226
H 1.2555 -1.0711 2.3543
H 0.3266 -2.2122 1.3666
H 2.0525 -2.4514 1.6103
H 0.8193 0.8445 -0.9811
H 0.6122 1.0718 0.7144
H -0.4400 0.4244 2.4204
H -2.0425 -0.1400 2.8563
H -3.0985 1.7209 1.5688
H -1.5098 2.3359 1.1312
H -2.0131 2.3425 2.8349
H 3.1017 0.3084 1.1257
H 3.4860 -1.1139 0.2817
H 3.0712 0.1760 -0.5761

Answer 1

awk '{print $4 " " $1 " " $2 " " $3 }' /tmp/atom.txt
Will give you
C 1.2840 -1.6830 1.4460
C 1.5660 -0.8240 0.2163
C 0.5584 0.2995 -0.0595
C -0.8805 -0.1514 -0.2412
O -1.6205 -0.3785 0.8741
C -1.4770 0.3883 2.0816
O -1.3875 -0.2971 -1.3503
C -2.0561 1.7788 1.8987
O 1.8097 -1.5560 -0.8246
N 2.8979 -0.2777 0.3226
H 1.2555 -1.0711 2.3543
H 0.3266 -2.2122 1.3666
H 2.0525 -2.4514 1.6103
H 0.8193 0.8445 -0.9811
H 0.6122 1.0718 0.7144
H -0.4400 0.4244 2.4204
H -2.0425 -0.1400 2.8563
H -3.0985 1.7209 1.5688
H -1.5098 2.3359 1.1312
H -2.0131 2.3425 2.8349
H 3.1017 0.3084 1.1257
H 3.4860 -1.1139 0.2817
H 3.0712 0.1760 -0.5761

Answer 2

You can use awk with printf to get the aligned columns:
awk '{ printf "%s %8s %9s %9s\n", $4, $1, $2, $3}' test.txt
which gives:
C 1.2840 -1.6830 1.4460
C 1.5660 -0.8240 0.2163
C 0.5584 0.2995 -0.0595
C -0.8805 -0.1514 -0.2412
O -1.6205 -0.3785 0.8741
C -1.4770 0.3883 2.0816
O -1.3875 -0.2971 -1.3503
C -2.0561 1.7788 1.8987
O 1.8097 -1.5560 -0.8246
N 2.8979 -0.2777 0.3226
H 1.2555 -1.0711 2.3543
H 0.3266 -2.2122 1.3666
H 2.0525 -2.4514 1.6103
H 0.8193 0.8445 -0.9811
H 0.6122 1.0718 0.7144
H -0.4400 0.4244 2.4204
H -2.0425 -0.1400 2.8563
H -3.0985 1.7209 1.5688
H -1.5098 2.3359 1.1312
H -2.0131 2.3425 2.8349
H 3.1017 0.3084 1.1257
H 3.4860 -1.1139 0.2817
H 3.0712 0.1760 -0.5761

Answer 3

With sed you can get last character and put it first
sed "s/^\(.*\)\(.\)$/\2\1/g" /tmp/atom.txt
C 1.2840 -1.6830 1.4460
C 1.5660 -0.8240 0.2163
C 0.5584 0.2995 -0.0595
C -0.8805 -0.1514 -0.2412
O -1.6205 -0.3785 0.8741
C -1.4770 0.3883 2.0816
O -1.3875 -0.2971 -1.3503
C -2.0561 1.7788 1.8987
O 1.8097 -1.5560 -0.8246
N 2.8979 -0.2777 0.3226
H 1.2555 -1.0711 2.3543
H 0.3266 -2.2122 1.3666
H 2.0525 -2.4514 1.6103
H 0.8193 0.8445 -0.9811
H 0.6122 1.0718 0.7144
H -0.4400 0.4244 2.4204
H -2.0425 -0.1400 2.8563
H -3.0985 1.7209 1.5688
H -1.5098 2.3359 1.1312
H -2.0131 2.3425 2.8349
H 3.1017 0.3084 1.1257
H 3.4860 -1.1139 0.2817
H 3.0712 0.1760 -0.5761