#MD System 2.0

@Title Kainite_XRD_1.cif_P1 (0 1 0)  surface

@Columns AsymmetricAtom
	AtomicNumber	int	0
	Connections	string	{{}}
	Fractional	double	{{0.0 0.0 0.0}}
	Name	string	{{}}
	Site	int	1
	Spin	double	0.0
	WyckoffPosition	int	-1
@end
@data
19 {} {0.419600174609 0.305502055954 0.223709026831} K1 1 0.0 -1
19 {} {0.580399825391 0.694497944046 0.223709026831} K2 2 0.0 -1
19 {} {0.419600174609 0.805502055954 0.5} K3 3 0.0 -1
19 {} {0.580399825391 0.194497944046 0.5} K4 4 0.0 -1
19 {} {0.932973226632 0.808990699243 0.223709026831} K5 5 0.0 -1
19 {} {0.067026773368 0.191009300757 0.223709026831} K6 6 0.0 -1
19 {} {0.932973226632 0.308990699243 0.5} K7 7 0.0 -1
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19 {} {0.841745982216 0.804628088275 0.393608732376} K9 9 0.0 -1
19 {} {0.158254017784 0.195371911725 0.393608732376} K10 10 0.0 -1
19 {} {0.158254017784 0.195371911725 0.606391267624} K11 11 0.0 -1
19 {} {0.841745982216 0.804628088275 0.606391267624} K12 12 0.0 -1
19 {} {0.841745982216 0.304628088275 0.669899705544} K13 13 0.0 -1
19 {} {0.158254017784 0.695371911725 0.669899705544} K14 14 0.0 -1
19 {} {0.158254017784 0.695371911725 0.330100294456} K15 15 0.0 -1
19 {} {0.841745982216 0.304628088275 0.330100294456} K16 16 0.0 -1
12 {} {0.5 0 0.5} Mg1 17 0.0 -1
12 {} {0.5 0.5 0.223709026831} Mg2 18 0.0 -1
12 {} {0 0 0.223709026831} Mg3 19 0.0 -1
12 {} {0 0.5 0.5} Mg4 20 0.0 -1
12 {} {0.5 0.25 0.361854513415} Mg5 21 0.0 -1
12 {} {0.5 0.75 0.361854513415} Mg6 22 0.0 -1
12 {} {0.5 0.75 0.638145486585} Mg7 23 0.0 -1
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12 {} {0.246460817066 0.498356645602 0.638256314476} Mg13 29 0.0 -1
12 {} {0.753539182934 0.501643354398 0.638256314476} Mg14 30 0.0 -1
12 {} {0.753539182934 0.501643354398 0.361743685524} Mg15 31 0.0 -1
12 {} {0.246460817066 0.498356645602 0.361743685524} Mg16 32 0.0 -1
16 {} {0.518011217954 0.903831611078 0.405428439195} S1 33 0.0 -1
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