file|/Users/pierrestadelmann/Documents/jems-swiss/Home/Help/Images/MoS2/MoS2.txt
name|MoS2
creator|pierrestadelmann
date|Tue Apr 16 16:44:16 CEST 2024
system|hexagonal
superCell|false
HMSymbol|194|12|1|0|0| P 63/m m c
rps|0|x    ,   y    ,   z
rps|1|-y    ,   x - y,   z
rps|2|-x + y,  -x    ,   z
rps|3|-x    ,  -y    , 1/2 + z
rps|4|y    ,  -x + y, 1/2 + z
rps|5|x - y,   x    , 1/2 + z
rps|6|y    ,   x    ,  -z
rps|7|x - y,  -y    ,  -z
rps|8|-x    ,  -x + y,  -z
rps|9|-y    ,  -x    , 1/2 - z
rps|10|-x + y,   y    , 1/2 - z
rps|11|x    ,   x - y, 1/2 - z
lattice|0|0.31625
lattice|1|0.31625
lattice|2|1.23022
lattice|3|90.0
lattice|4|90.0
lattice|5|120.0
atom|0|Mo,c,0.333300,0.666700,0.250000,0.0000,1.0000,0.0630,0,2
atom|1|S ,f,0.333300,0.666700,0.621500,0.0000,1.0000,0.0370,0,2