Chalcopyrite * CuFeS2 * I-42d 
5.24 5.24 10.3 90 90 90 I 8 N
Cu 0 0 0  1.2 10 
Cu 0 .5 .25 1.2 10 
Fe 0 0 .5  1.2 12 
Fe 0 .5 .75  1.2 12 
S .25 .25 .125 1 6 
S .75 .75 .125 1 6 
S .75 .25 .875 1 6 
S .25 .75 .875 1 6