atat-mirror/data/wyckoff/wyckoff59s2.txt

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2023-08-31 20:30:18 +02:00
1/4 1/4 z a
3/4 3/4 -z a
1/4 3/4 z b
3/4 1/4 -z b
0 0 0 c
1/2 1/2 0 c
0 1/2 0 c
1/2 0 0 c
0 0 1/2 d
1/2 1/2 1/2 d
0 1/2 1/2 d
1/2 0 1/2 d
1/4 y z e
1/4 -y+1/2 z e
3/4 y+1/2 -z e
3/4 -y -z e
x 1/4 z f
-x+1/2 1/4 z f
-x 3/4 -z f
x+1/2 3/4 -z f
x y z g
-x+1/2 -y+1/2 z g
-x y+1/2 -z g
x+1/2 -y -z g
-x -y -z g
x+1/2 y+1/2 -z g
x -y+1/2 z g
-x+1/2 y z g