#MD System 2.0

@Title heter_biocl_ws2.cif

@Columns AsymmetricAtom
	AtomicNumber	int	0
	Connections	string	{{}}
	Fractional	double	{{0.0 0.0 0.0}}
	Name	string	{{}}
	Occupancy	double	1.0
	Site	int	1
	WyckoffPosition	int	-1
@end
@data
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16 {} {0.375891251449 0.0877729711302 0.0461455378285} S9 1.0 9 1
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16 {} {0.625891251449 0.0877729711302 0.0461455378285} S15 1.0 15 1
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16 {} {0.625891251449 0.0877729711302 0.143175537829} S17 1.0 17 1
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16 {} {0.875891251449 0.0877729711302 0.0461455378285} S21 1.0 21 1
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16 {} {0.750891251449 0.33777297113 0.143175537829} S24 1.0 24 1
74 {} {0.125891251449 0.92111297113 0.0946655378285} W25 1.0 25 1
74 {} {0.000891251449274 0.67111297113 0.0946655378285} W26 1.0 26 1
16 {} {0.125891251449 0.58777297113 0.0461455378285} S27 1.0 27 1
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16 {} {0.000891251449274 0.83777297113 0.143175537829} S30 1.0 30 1
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16 {} {0.375891251449 0.58777297113 0.0461455378285} S33 1.0 33 1
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16 {} {0.250891251449 0.83777297113 0.143175537829} S36 1.0 36 1
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16 {} {0.500891251449 0.83777297113 0.0461455378285} S40 1.0 40 1
16 {} {0.625891251449 0.58777297113 0.143175537829} S41 1.0 41 1
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74 {} {0.875891251449 0.92111297113 0.0946655378285} W43 1.0 43 1
74 {} {0.750891251449 0.67111297113 0.0946655378285} W44 1.0 44 1
16 {} {0.875891251449 0.58777297113 0.0461455378285} S45 1.0 45 1
16 {} {0.750891251449 0.83777297113 0.0461455378285} S46 1.0 46 1
16 {} {0.875891251449 0.58777297113 0.143175537829} S47 1.0 47 1
16 {} {0.750891251449 0.83777297113 0.143175537829} S48 1.0 48 1
83 {} {0.25153475087 0.108305782678 0.292897322697} Bi49 1.0 49 1
83 {} {0.0848747508696 0.274975782678 0.370167322697} Bi50 1.0 50 1
17 {} {0.0848847508696 0.277795782678 0.233997322697} Cl51 1.0 51 1
17 {} {0.25153475087 0.108305782678 0.412047322697} Cl52 1.0 52 1
8 {} {0.25152475087 0.274985782678 0.331547322697} O53 1.0 53 1
8 {} {0.0848847508696 0.108305782678 0.331547322697} O54 1.0 54 1
83 {} {0.58487475087 0.108305782678 0.292897322697} Bi55 1.0 55 1
83 {} {0.41820475087 0.274975782678 0.370157322697} Bi56 1.0 56 1
17 {} {0.41821475087 0.277795782678 0.233997322697} Cl57 1.0 57 1
17 {} {0.58487475087 0.108305782678 0.412047322697} Cl58 1.0 58 1
8 {} {0.58488475087 0.274985782678 0.331547322697} O59 1.0 59 1
8 {} {0.41820475087 0.108305782678 0.331547322697} O60 1.0 60 1
83 {} {0.91820475087 0.108305782678 0.292897322697} Bi61 1.0 61 1
83 {} {0.75153475087 0.274975782678 0.370167322697} Bi62 1.0 62 1
17 {} {0.75154475087 0.277795782678 0.233997322697} Cl63 1.0 63 1
17 {} {0.91820475087 0.108305782678 0.412047322697} Cl64 1.0 64 1
8 {} {0.91820475087 0.274985782678 0.331547322697} O65 1.0 65 1
8 {} {0.75152475087 0.108305782678 0.331547322697} O66 1.0 66 1
83 {} {0.25153475087 0.441635782678 0.292897322697} Bi67 1.0 67 1
83 {} {0.0848747508696 0.608305782678 0.370157322697} Bi68 1.0 68 1
17 {} {0.0848847508696 0.611125782678 0.233997322697} Cl69 1.0 69 1
17 {} {0.25153475087 0.441635782678 0.412047322697} Cl70 1.0 70 1
8 {} {0.25152475087 0.608305782678 0.331547322697} O71 1.0 71 1
8 {} {0.0848847508696 0.441625782678 0.331547322697} O72 1.0 72 1
83 {} {0.58487475087 0.441635782678 0.292897322697} Bi73 1.0 73 1
83 {} {0.41820475087 0.608305782678 0.370157322697} Bi74 1.0 74 1
17 {} {0.41821475087 0.611125782678 0.234007322697} Cl75 1.0 75 1
17 {} {0.58487475087 0.441635782678 0.412047322697} Cl76 1.0 76 1
8 {} {0.58488475087 0.608305782678 0.331547322697} O77 1.0 77 1
8 {} {0.41820475087 0.441625782678 0.331547322697} O78 1.0 78 1
83 {} {0.91820475087 0.441635782678 0.292897322697} Bi79 1.0 79 1
83 {} {0.75153475087 0.608305782678 0.370157322697} Bi80 1.0 80 1
17 {} {0.75154475087 0.611125782678 0.233997322697} Cl81 1.0 81 1
17 {} {0.91820475087 0.441635782678 0.412047322697} Cl82 1.0 82 1
8 {} {0.91820475087 0.608305782678 0.331547322697} O83 1.0 83 1
8 {} {0.75152475087 0.441625782678 0.331547322697} O84 1.0 84 1
83 {} {0.25153475087 0.774975782678 0.292897322697} Bi85 1.0 85 1
83 {} {0.0848747508696 0.941635782678 0.370167322697} Bi86 1.0 86 1
17 {} {0.0848847508696 0.944455782678 0.233997322697} Cl87 1.0 87 1
17 {} {0.25153475087 0.774975782678 0.412047322697} Cl88 1.0 88 1
8 {} {0.25152475087 0.941625782678 0.331547322697} O89 1.0 89 1
8 {} {0.0848847508696 0.774985782678 0.331547322697} O90 1.0 90 1
83 {} {0.58487475087 0.774975782678 0.292897322697} Bi91 1.0 91 1
83 {} {0.41820475087 0.941635782678 0.370157322697} Bi92 1.0 92 1
17 {} {0.41821475087 0.944455782678 0.233997322697} Cl93 1.0 93 1
17 {} {0.58487475087 0.774975782678 0.412047322697} Cl94 1.0 94 1
8 {} {0.58488475087 0.941625782678 0.331547322697} O95 1.0 95 1
8 {} {0.41820475087 0.774985782678 0.331547322697} O96 1.0 96 1
83 {} {0.91820475087 0.774975782678 0.292897322697} Bi97 1.0 97 1
83 {} {0.75153475087 0.941635782678 0.370167322697} Bi98 1.0 98 1
17 {} {0.75154475087 0.944455782678 0.233997322697} Cl99 1.0 99 1
17 {} {0.91820475087 0.774975782678 0.412047322697} Cl100 1.0 100 1
8 {} {0.91820475087 0.941625782678 0.331547322697} O101 1.0 101 1
8 {} {0.75152475087 0.774985782678 0.331547322697} O102 1.0 102 1
@end
@Columns Cell
	Constraints	string	{a b c A B G}
	Origin	int	{{0 0 0}}
	Parameters	double	{{10.0 10.0 10.0 90.0 90.0 90.0}}
	PrimitiveData	double	{{{1.0 0.0 0.0} {0.0 1.0 0.0} {0.0 0.0 1.0}}}
	RotationMatrix	double	{{{1.0 0.0 0.0} {0.0 1.0 0.0} {0.0 0.0 1.0}}}
	SpaceGroup	string	P1
	SpaceGroupNumber	int	1
	ToCartesians	double	{{{10.0 0.0 0.0} {0.0 10.0 0.0} {0.0 0.0 10.0}}}
	ToFractionals	double	{{{0.10000000000000001 0.0 0.0} {0.0 0.10000000000000001 0.0} {0.0 0.0 0.10000000000000001}}}
@end
@data
{a b c A B G} {0 0 0} {12.2261 11.3729 32.4868 90 90 90} {{1 0 0} {0 1 0} {0 0 1}} {{1 0 0} {0 1 0} {0 0 1}} P1 1 {{12.2261 0 0} {0 11.3729 0} {0 0 32.4868}} {{0.0817922313739 0 0} {0 0.0879283208329 0} {0 0 0.0307817328884}}
@end
@Columns AsymmetricBond
	Atom1	reference	AsymmetricAtom
	Atom2	reference	AsymmetricAtom
	Key	int	0
	Order	int	0
@end
@data
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@end
@Columns Bond
	AsymmetricBond	reference	AsymmetricBond
	Atom1	reference	Atom
	Atom2	reference	Atom
	CellOffset2	int	{{0 0 0}}
	Key	int	0
@end
@data
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@end
@Columns Subset
	Color	string	{{#65d9f0}}
	Criteria	string	{{}}
	DisplayLine	int	0
	IeqJ	int	1
	IgtJ	int	0
	IltJ	int	0
	Length	int	1
	Name	string	{{}}
	Table	string	{{}}
	Type	string	atom
	UseColor	int	0
@end
@data
@end