#MD System 2.0

@Title Kainite_XRD_1.cif_P1

@Columns AsymmetricAtom
	AtomicNumber	int	0
	Connections	string	{{}}
	Fractional	double	{{0.0 0.0 0.0}}
	Name	string	{{}}
	Site	int	1
	WyckoffPosition	int	-1
@end
@data
19 {} {0.695188875956 0 0.423319603888} K1 1 1
19 {} {0.304811124044 0 0.576680396112} K2 2 1
19 {} {0.188824837022 0 0.922160990402} K3 3 1
19 {} {0.811175162978 0 0.0778390095984} K4 4 1
19 {} {0.889525502064 0.613148375499 0.841698131995} K5 5 1
19 {} {0.497326122437 0.613148375499 0.158301868005} K6 6 1
19 {} {0.110474497936 0.386851624501 0.158301868005} K7 7 1
19 {} {0.502673877563 0.386851624501 0.841698131995} K8 8 1
12 {} {0.5 0 0.5} Mg1 9 1
12 {} {0 0 0} Mg2 10 1
12 {} {0 0.5 0.5} Mg3 11 1
12 {} {0.5 0.5 0.5} Mg4 12 1
12 {} {0.751901188234 0.500038638148 0.249052793011} Mg5 13 1
12 {} {0.748060173618 0.500038638148 0.750947206989} Mg6 14 1
12 {} {0.248098811766 0.499961361852 0.750947206989} Mg7 15 1
12 {} {0.251939826382 0.499961361852 0.249052793011} Mg8 16 1
16 {} {0.768258854386 0.656710506433 0.518033612795} S1 17 1
16 {} {0.575030639181 0.656710506433 0.481966387205} S2 18 1
16 {} {0.231741145614 0.343289493567 0.481966387205} S3 19 1
16 {} {0.424969360819 0.343289493567 0.518033612795} S4 20 1
16 {} {0.731211856764 0.34362277052 0.990078153728} S5 21 1
16 {} {0.925165372716 0.34362277052 0.00992184627161} S6 22 1
16 {} {0.268788143236 0.65637722948 0.00992184627161} S7 23 1
16 {} {0.0748346272838 0.65637722948 0.990078153728} S8 24 1
17 {} {0.211189171279 0 0.265515644351} Cl1 25 1
17 {} {0.788810828721 0 0.734484355649} Cl2 26 1
17 {} {0.138811542848 0 0.595458487143} Cl3 27 1
17 {} {0.861188457152 0 0.404541512857} Cl4 28 1
17 {} {0.796496221481 0.775921938342 0.135327701826} Cl5 29 1
17 {} {0.427581840177 0.775921938342 0.864672298174} Cl6 30 1
17 {} {0.203503778519 0.224078061658 0.864672298174} Cl7 31 1
17 {} {0.572418159823 0.224078061658 0.135327701826} Cl8 32 1
8 {} {0.828504090118 0.482957961171 0.917742017127} O1 33 1
8 {} {0.688537948711 0.482957961171 0.082257982873} O2 34 1
8 {} {0.171495909882 0.517042038829 0.082257982873} O3 35 1
8 {} {0.311462051289 0.517042038829 0.917742017127} O4 36 1
8 {} {0.812831520404 0.518999905582 0.4229756924} O5 37 1
8 {} {0.668168574014 0.518999905582 0.5770243076} O6 38 1
8 {} {0.187168479596 0.481000094418 0.5770243076} O7 39 1
8 {} {0.331831425986 0.481000094418 0.4229756924} O8 40 1
8 {} {0.757872637357 0.631062264762 0.656267685509} O9 41 1
8 {} {0.61106509788 0.631062264762 0.343732314491} O10 42 1
8 {} {0.242127362643 0.368937735238 0.343732314491} O11 43 1
8 {} {0.38893490212 0.368937735238 0.656267685509} O12 44 1
8 {} {0.660618252455 0.821441054523 0.456430789647} O13 45 1
8 {} {0.517940693021 0.821441054523 0.543569210353} O14 46 1
8 {} {0.339381747545 0.178558945477 0.543569210353} O15 47 1
8 {} {0.482059306979 0.178558945477 0.456430789647} O16 48 1
8 {} {0.976692934065 0.181310861616 0.948593389232} O17 49 1
8 {} {0.841996204319 0.181310861616 0.0514066107682} O18 50 1
8 {} {0.0233070659349 0.818689138384 0.0514066107682} O19 51 1
8 {} {0.158003795681 0.818689138384 0.948593389232} O20 52 1
8 {} {0.892290667476 0.369106279249 0.152528973245} O21 53 1
8 {} {0.738603053275 0.369106279249 0.847471026755} O22 54 1
8 {} {0.107709332524 0.630893720751 0.847471026755} O23 55 1
8 {} {0.261396946725 0.630893720751 0.152528973245} O24 56 1
8 {} {0.838714296405 0.666186193731 0.532392426454} O25 57 1
8 {} {0.495099509864 0.666186193731 0.467607573546} O26 58 1
8 {} {0.161285703595 0.333813806269 0.467607573546} O27 59 1
8 {} {0.504900490136 0.333813806269 0.532392426454} O28 60 1
8 {} {0.00381982223918 0.334020452327 0.0141086507708} O29 61 1
8 {} {0.662159725433 0.334020452327 0.985891349229} O30 62 1
8 {} {0.996180177761 0.665979547673 0.985891349229} O31 63 1
8 {} {0.337840274567 0.665979547673 0.0141086507708} O32 64 1
8 {} {0.0521946865536 0 0.198886735939} O33 65 1
8 {} {0.947805313446 0 0.801113264061} O34 66 1
8 {} {0.536200646764 0 0.705702479445} O35 67 1
8 {} {0.463799353236 0 0.294297520555} O36 68 1
8 {} {0.0434409545396 0.33952076207 0.640781495346} O37 69 1
8 {} {0.61703828339 0.33952076207 0.359218504654} O38 70 1
8 {} {0.95655904546 0.66047923793 0.359218504654} O39 71 1
8 {} {0.38296171661 0.66047923793 0.640781495346} O40 72 1
8 {} {0.671443580198 0.728130359259 0.180033822974} O41 73 1
8 {} {0.600426060543 0.728130359259 0.819966177026} O42 74 1
8 {} {0.328556419802 0.271869640741 0.819966177026} O43 75 1
8 {} {0.399573939457 0.271869640741 0.180033822974} O44 76 1
8 {} {0.890730680753 0.267099437085 0.675695396743} O45 77 1
8 {} {0.842169882162 0.267099437085 0.324304603257} O46 78 1
8 {} {0.109269319247 0.732900562915 0.324304603257} O47 79 1
8 {} {0.157830117838 0.732900562915 0.675695396743} O48 80 1
8 {} {0.00967054429878 0.374367037787 0.336569558227} O49 81 1
8 {} {0.615962417914 0.374367037787 0.663430441773} O50 82 1
8 {} {0.990329455701 0.625632962213 0.663430441773} O51 83 1
8 {} {0.384037582086 0.625632962213 0.336569558227} O52 84 1
8 {} {0.655448587531 0 0.847197654733} O53 85 1
8 {} {0.344551412469 0 0.152802345267} O54 86 1
1 {} {0.101871772572 0 0.212417627538} H1 87 1
1 {} {0.898128227428 0 0.787582372462} H2 88 1
1 {} {0.0380562045995 0 0.291947120995} H3 89 1
1 {} {0.9619437954 0 0.708052879005} H4 90 1
1 {} {0.583955228213 0 0.750361134505} H5 91 1
1 {} {0.416044771787 0 0.249638865495} H6 92 1
1 {} {0.509706864239 0 0.784204220099} H7 93 1
1 {} {0.490293135761 0 0.215795779901} H8 94 1
1 {} {0.0967590618643 0.300960119733 0.719172751378} H9 95 1
1 {} {0.602280818403 0.300960119733 0.280827248622} H10 96 1
1 {} {0.903240938136 0.699039880267 0.280827248622} H11 97 1
1 {} {0.397719181597 0.699039880267 0.719172751378} H12 98 1
1 {} {0.0642395595856 0.240748005495 0.613333235287} H13 99 1
1 {} {0.695012434919 0.240748005495 0.386666764713} H14 100 1
1 {} {0.935760440414 0.759251994505 0.386666764713} H15 101 1
1 {} {0.304987565081 0.759251994505 0.613333235287} H16 102 1
1 {} {0.716727229531 0.720761317933 0.13385992603} H17 103 1
1 {} {0.562511452536 0.720761317933 0.86614007397} H18 104 1
1 {} {0.283272770469 0.279238682067 0.86614007397} H19 105 1
1 {} {0.437488547464 0.279238682067 0.13385992603} H20 106 1
1 {} {0.65984354626 0.781968108331 0.2704034926} H21 107 1
1 {} {0.558188345409 0.781968108331 0.7295965074} H22 108 1
1 {} {0.34015645374 0.218031891669 0.7295965074} H23 109 1
1 {} {0.441811654591 0.218031891669 0.2704034926} H24 110 1
1 {} {0.930396392951 0.248095828172 0.604517313359} H25 111 1
1 {} {0.821507778876 0.248095828172 0.395482686641} H26 112 1
1 {} {0.0696036070485 0.751904171828 0.395482686641} H27 113 1
1 {} {0.178492221124 0.751904171828 0.604517313359} H28 114 1
1 {} {0.940120021465 0.207522255557 0.760809295647} H29 115 1
1 {} {0.852357722979 0.207522255557 0.239190704353} H30 116 1
1 {} {0.0598799785355 0.792477744443 0.239190704353} H31 117 1
1 {} {0.147642277021 0.792477744443 0.760809295647} H32 118 1
1 {} {0.0755422004456 0.251813674053 0.326092403003} H33 119 1
1 {} {0.672644125502 0.251813674053 0.673907596997} H34 120 1
1 {} {0.924457799554 0.748186325947 0.673907596997} H35 121 1
1 {} {0.327355874498 0.748186325947 0.326092403003} H36 122 1
1 {} {0.951965510651 0.400136814371 0.287003624937} H37 123 1
1 {} {0.647897674978 0.400136814371 0.712996375063} H38 124 1
1 {} {0.0480344893491 0.599863185629 0.712996375063} H39 125 1
1 {} {0.352102325022 0.599863185629 0.287003624937} H40 126 1
1 {} {0.701528025801 0 0.818004636252} H41 127 1
1 {} {0.298471974199 0 0.181995363748} H42 128 1
1 {} {0.659204561581 0 0.949484829375} H43 129 1
1 {} {0.340795438419 0 0.0505151706246} H44 130 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} {19.953882942 12.7785681656 9.64869580812 95.1134558784 96.5549654873 38.6701702168} {{1 0 0} {0 1 0} {0 0 1}} {{1 0 0} {0 1 0} {0 0 1}} P1 1 {{19.95176305 0 -0.2908533303} {9.975881525 7.984512712 -0.1454266651} {-0.961619962 0 9.600657157}} {{0.0501941745811 0 0.00152063995202} {-0.0626212291263 0.125242458253 0} {0.00502754337167 0 0.104311846716}}
@end
@Columns AsymmetricBond
	Atom1	reference	AsymmetricAtom
	Atom2	reference	AsymmetricAtom
	Key	int	0
	Order	int	0
@end
@data
3 0 0 0
28 0 0 0
31 0 0 0
44 0 0 0
47 0 0 0
56 0 0 0
59 0 0 0
2 1 0 0
29 1 0 0
30 1 0 0
45 1 0 0
46 1 0 0
57 1 0 0
58 1 0 0
5 2 0 0
6 2 0 0
24 2 0 0
26 2 0 0
29 2 0 0
30 2 0 0
48 2 0 0
51 2 0 0
60 2 0 0
63 2 0 0
4 3 0 0
7 3 0 0
25 3 0 0
27 3 0 0
28 3 0 0
31 3 0 0
49 3 0 0
50 3 0 0
61 3 0 0
62 3 0 0
6 4 0 0
10 4 0 0
28 4 0 0
32 4 0 0
40 4 0 0
60 4 0 0
62 4 0 0
68 4 0 0
82 4 0 0
7 5 0 0
11 5 0 0
29 5 0 0
33 5 0 0
41 5 0 0
61 5 0 0
63 5 0 0
69 5 0 0
83 5 0 0
10 6 0 0
30 6 0 0
34 6 0 0
42 6 0 0
60 6 0 0
62 6 0 0
70 6 0 0
80 6 0 0
11 7 0 0
31 7 0 0
35 7 0 0
43 7 0 0
61 7 0 0
63 7 0 0
71 7 0 0
81 7 0 0
44 8 0 0
45 8 0 0
46 8 0 0
47 8 0 0
66 8 0 0
67 8 0 0
48 9 0 0
49 9 0 0
50 9 0 0
51 9 0 0
64 9 0 0
65 9 0 0
56 10 0 0
58 10 0 0
68 10 0 0
70 10 0 0
80 10 0 0
82 10 0 0
57 11 0 0
59 11 0 0
69 11 0 0
71 11 0 0
81 11 0 0
83 11 0 0
33 12 0 0
36 12 0 0
41 12 0 0
52 12 0 0
72 12 0 0
77 12 0 0
32 13 0 0
37 13 0 0
40 13 0 0
53 13 0 0
73 13 0 0
76 13 0 0
35 14 0 0
38 14 0 0
43 14 0 0
54 14 0 0
74 14 0 0
79 14 0 0
34 15 0 0
39 15 0 0
42 15 0 0
55 15 0 0
75 15 0 0
78 15 0 0
36 16 0 0
40 16 0 0
44 16 0 0
56 16 0 0
37 17 0 0
41 17 0 0
45 17 0 0
57 17 0 0
38 18 0 0
42 18 0 0
46 18 0 0
58 18 0 0
39 19 0 0
43 19 0 0
47 19 0 0
59 19 0 0
33 20 0 0
49 20 0 0
53 20 0 0
61 20 0 0
32 21 0 0
48 21 0 0
52 21 0 0
60 21 0 0
35 22 0 0
51 22 0 0
55 22 0 0
63 22 0 0
34 23 0 0
50 23 0 0
54 23 0 0
62 23 0 0
86 64 0 0
88 64 0 0
87 65 0 0
89 65 0 0
90 66 0 0
92 66 0 0
91 67 0 0
93 67 0 0
94 68 0 0
98 68 0 0
95 69 0 0
99 69 0 0
96 70 0 0
100 70 0 0
97 71 0 0
101 71 0 0
102 72 0 0
106 72 0 0
103 73 0 0
107 73 0 0
104 74 0 0
108 74 0 0
105 75 0 0
109 75 0 0
110 76 0 0
114 76 0 0
111 77 0 0
115 77 0 0
112 78 0 0
116 78 0 0
113 79 0 0
117 79 0 0
118 80 0 0
122 80 0 0
119 81 0 0
123 81 0 0
120 82 0 0
124 82 0 0
121 83 0 0
125 83 0 0
126 84 0 0
128 84 0 0
127 85 0 0
129 85 0 0
@end
@Columns Bond
	AsymmetricBond	reference	AsymmetricBond
	Atom1	reference	Atom
	Atom2	reference	Atom
	CellOffset2	int	{{0 0 0}}
	Key	int	0
@end
@data
0 3 0 {0 0 0} 0
1 28 0 {0 1 0} 0
2 31 0 {0 0 0} 0
3 44 0 {0 1 0} 0
4 47 0 {0 0 0} 0
5 56 0 {0 1 0} 0
6 59 0 {0 0 0} 0
7 2 1 {0 0 0} 0
8 29 1 {0 1 0} 0
9 30 1 {0 0 0} 0
10 45 1 {0 1 0} 0
11 46 1 {0 0 0} 0
12 57 1 {0 1 0} 0
13 58 1 {0 0 0} 0
14 5 2 {0 1 -1} 0
15 2 6 {0 0 1} 0
16 2 24 {0 0 1} 0
17 26 2 {0 0 0} 0
18 29 2 {0 1 0} 0
19 30 2 {0 0 0} 0
20 48 2 {1 0 0} 0
21 51 2 {0 1 0} 0
22 2 60 {0 0 1} 0
23 63 2 {0 1 -1} 0
24 4 3 {0 1 1} 0
25 7 3 {0 0 1} 0
26 25 3 {0 0 1} 0
27 27 3 {0 0 0} 0
28 28 3 {0 1 0} 0
29 31 3 {0 0 0} 0
30 49 3 {0 0 0} 0
31 3 50 {1 -1 0} 0
32 61 3 {0 0 1} 0
33 62 3 {0 1 1} 0
34 4 6 {1 0 1} 0
35 4 10 {1 0 0} 0
36 4 28 {0 0 1} 0
37 32 4 {0 0 0} 0
38 40 4 {0 0 0} 0
39 4 60 {1 0 1} 0
40 62 4 {0 0 0} 0
41 4 68 {1 0 0} 0
42 82 4 {0 0 0} 0
43 7 5 {0 0 1} 0
44 11 5 {0 0 0} 0
45 29 5 {0 0 1} 0
46 33 5 {0 0 0} 0
47 41 5 {0 0 0} 0
48 61 5 {0 0 1} 0
49 63 5 {0 0 0} 0
50 69 5 {0 0 0} 0
51 83 5 {0 0 0} 0
52 10 6 {0 0 0} 0
53 30 6 {0 0 1} 0
54 34 6 {0 0 0} 0
55 42 6 {0 0 0} 0
56 60 6 {0 0 0} 0
57 62 6 {1 0 1} 0
58 70 6 {1 0 0} 0
59 80 6 {0 0 0} 0
60 11 7 {0 0 0} 0
61 7 31 {0 0 1} 0
62 35 7 {0 0 0} 0
63 43 7 {0 0 0} 0
64 61 7 {0 0 0} 0
65 7 63 {0 0 1} 0
66 71 7 {0 0 0} 0
67 81 7 {0 0 0} 0
68 44 8 {0 1 0} 0
69 45 8 {0 1 0} 0
70 46 8 {0 0 0} 0
71 47 8 {0 0 0} 0
72 66 8 {0 0 0} 0
73 67 8 {0 0 0} 0
74 48 9 {1 0 1} 0
75 49 9 {1 0 0} 0
76 50 9 {0 1 0} 0
77 51 9 {0 1 1} 0
78 64 9 {0 0 0} 0
79 65 9 {1 0 1} 0
80 56 10 {1 0 0} 0
81 58 10 {0 0 0} 0
82 68 10 {0 0 0} 0
83 70 10 {1 0 0} 0
84 80 10 {0 0 0} 0
85 82 10 {1 0 0} 0
86 57 11 {0 0 0} 0
87 59 11 {0 0 0} 0
88 69 11 {0 0 0} 0
89 71 11 {0 0 0} 0
90 81 11 {0 0 0} 0
91 83 11 {0 0 0} 0
92 33 12 {0 0 0} 0
93 36 12 {0 0 0} 0
94 41 12 {0 0 0} 0
95 52 12 {0 0 0} 0
96 72 12 {0 0 0} 0
97 77 12 {0 0 0} 0
98 32 13 {0 0 0} 0
99 37 13 {0 0 0} 0
100 40 13 {0 0 0} 0
101 53 13 {0 0 0} 0
102 73 13 {0 0 0} 0
103 76 13 {0 0 0} 0
104 35 14 {0 0 0} 0
105 38 14 {0 0 0} 0
106 43 14 {0 0 0} 0
107 54 14 {0 0 0} 0
108 74 14 {0 0 0} 0
109 79 14 {0 0 0} 0
110 34 15 {0 0 0} 0
111 39 15 {0 0 0} 0
112 42 15 {0 0 0} 0
113 55 15 {0 0 0} 0
114 75 15 {0 0 0} 0
115 78 15 {0 0 0} 0
116 36 16 {0 0 0} 0
117 40 16 {0 0 0} 0
118 44 16 {0 0 0} 0
119 56 16 {0 0 0} 0
120 37 17 {0 0 0} 0
121 41 17 {0 0 0} 0
122 45 17 {0 0 0} 0
123 57 17 {0 0 0} 0
124 38 18 {0 0 0} 0
125 42 18 {0 0 0} 0
126 46 18 {0 0 0} 0
127 58 18 {0 0 0} 0
128 39 19 {0 0 0} 0
129 43 19 {0 0 0} 0
130 47 19 {0 0 0} 0
131 59 19 {0 0 0} 0
132 20 33 {0 0 1} 0
133 20 49 {0 0 1} 0
134 53 20 {0 0 0} 0
135 61 20 {0 0 0} 0
136 32 21 {0 0 1} 0
137 48 21 {0 0 1} 0
138 52 21 {0 0 0} 0
139 21 60 {1 0 0} 0
140 35 22 {0 0 1} 0
141 51 22 {0 0 1} 0
142 55 22 {0 0 0} 0
143 63 22 {0 0 0} 0
144 23 34 {0 0 1} 0
145 23 50 {0 0 1} 0
146 54 23 {0 0 0} 0
147 62 23 {1 0 0} 0
148 86 64 {0 0 0} 0
149 88 64 {0 0 0} 0
150 87 65 {0 0 0} 0
151 89 65 {0 0 0} 0
152 90 66 {0 0 0} 0
153 92 66 {0 0 0} 0
154 91 67 {0 0 0} 0
155 93 67 {0 0 0} 0
156 94 68 {0 0 0} 0
157 98 68 {0 0 0} 0
158 95 69 {0 0 0} 0
159 99 69 {0 0 0} 0
160 96 70 {0 0 0} 0
161 100 70 {0 0 0} 0
162 97 71 {0 0 0} 0
163 101 71 {0 0 0} 0
164 102 72 {0 0 0} 0
165 106 72 {0 0 0} 0
166 103 73 {0 0 0} 0
167 107 73 {0 0 0} 0
168 104 74 {0 0 0} 0
169 108 74 {0 0 0} 0
170 105 75 {0 0 0} 0
171 109 75 {0 0 0} 0
172 110 76 {0 0 0} 0
173 114 76 {0 0 0} 0
174 111 77 {0 0 0} 0
175 115 77 {0 0 0} 0
176 112 78 {0 0 0} 0
177 116 78 {0 0 0} 0
178 113 79 {0 0 0} 0
179 117 79 {0 0 0} 0
180 118 80 {0 0 0} 0
181 122 80 {1 0 0} 0
182 119 81 {0 0 0} 0
183 123 81 {0 0 0} 0
184 120 82 {0 0 0} 0
185 82 124 {1 0 0} 0
186 121 83 {0 0 0} 0
187 125 83 {0 0 0} 0
188 126 84 {0 0 0} 0
189 128 84 {0 0 0} 0
190 127 85 {0 0 0} 0
191 129 85 {0 0 0} 0
@end
@Columns Subset
	Color	string	{{#65d9f0}}
	Criteria	string	{{}}
	DisplayLine	int	0
	Dynamic	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