Chalcopyrite
Knight K S, Marshall W G, Zochowski S W
The Canadian Mineralogist 49 (2011) 1015-1034
The low-temperature and high-pressure thermoelastic and
structural properties of chalcopyrite, CuFeS2
T = 4.2 K
Locality: Palabora mine, South Africa
_database_code_amcsd 0018623
5.28563 5.28563 10.41917 90 90 90 I-42d
atom     x   y    z  Uiso
Cu       0   0    0 .0048
Fe       0   0   .5 .0049
S    .2529 .25 .125 .0053