TITLE Molecular FeS2 (Pyrite)
CONTROL 1 1 1 1 1 1 
EDGE K 1.0
XANES 6. .05 .3
*AFOLP 1.0
*FOLP 1 1.0
SCF 5.0 1
FMS 5.0 1
POTENTIALS
*	ipot	z	tag
	0	16	S
	1	16	S
	2	26	Fe

ATOMS
	0.000000	0.000000	0.000000	0		0.000000	1
	1.242568	1.245818	1.244193	1		2.155007	2
	0.600701	-2.075099	0.647825	2		2.255340	3
	0.619659	0.643492	-2.074016	2		2.258230	4
	0.000000	-1.446774	2.709383	1		3.071467	5
	2.706675	-0.007583	-1.457607	1		3.074210	6
	-1.467899	2.721300	0.000542	1		3.091957	7
	2.706675	-1.448940	1.247443	1		3.313855	8
	-1.466815	1.236068	2.711550	1		3.321433	9
	1.243651	2.726175	-1.461940	1		3.334062	10
	3.324167	0.639700	0.648909	2		3.446794	11
	-2.083766	-2.064808	-2.063725	2		3.586708	12
END