Daubreelite Lo Presti L, Destro R Journal of Chemical Physics 128 (2008) 044710-9 Experimental and theoretical charge density distribution of the colossal magnetoresistive transition metal sulfide FeCr2S4 T = 23 K Locality: synthetic _database_code_amcsd 0017554 9.9763 9.9763 9.9763 90 90 90 *Fd-3m .125 .125 .125 atom x y z U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) Fe .125 .125 .125 .00231 .00231 .00231 0 0 0 Cr .5 .5 .5 .00173 .00173 .00173 -.00004 -.00004 -.00004 S .25954 .25954 .25954 .00232 .00232 .00232 -.00013 -.00013 -.00013