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
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