#MD System 2.0

@Title Kainite_XRD_1.cif_P1 (1 0 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
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19 {} {0.489779098557 0.5 0.489901502373} K2 2 0.0 -1
19 {} {0.582096995715 0.807465176288 0.487437368819} K3 3 0.0 -1
19 {} {0.582096995715 0.192534823712 0.487437368819} K4 4 0.0 -1
12 {} {0.937499999999 0.75 0.456581785716} Mg5 5 0.0 -1
12 {} {0.937499999999 0.25 0.456581785716} Mg6 6 0.0 -1
12 {} {0.253950021533 0.250200563722 0.314446069851} Mg7 7 0.0 -1
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12 {} {0.128950021533 0.249799436278 0.596861069853} Mg10 10 0.0 -1
16 {} {0.881030879276 0.828855138263 0.543470494604} S3 11 0.0 -1
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17 {} {0.153838283047 0.5 0.48015531718} Cl1 15 0.0 -1
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