# CIF file
data_findsym-output
_audit_creation_method FINDSYM

_chemical_name_mineral 'Rb3AsSe16'
_chemical_formula_sum 'As Rb3 Se16'

loop_
_publ_author_name
 'M. Wachhold'
 'W. S. Sheldrick'
_journal_name_full_name
;
 Zeitschrift f{\"u}r Naturforschung B
;
_journal_volume 52
_journal_year 1997
_journal_page_first 169
_journal_page_last 175
_publ_Section_title
;
 Methanolothermale Synthese von Rb$_{3}$AsSe$_{4}$ {\textperiodcentered} 2Se$_{6}$ und Cs$_{3}$AsSe$_{4}${\textperiodcentered} 2Cs$_{2}$As$_{2}$Se$_{4}${\textperiodcentered} 6Te$_{4}$Se$_{2}$, zwei Selenidoarsenate mit sechsgliedrigen Chalkogenringen/Methanolothermal Synthesis of Rb$_{3}$AsSe$_{4}${\textperiodcentered} 2Se$_{6}$ and Cs$_{3}$AsSe$_{4}${\textperiodcentered} 2Cs$_{2}$As$_{2}$Se$_{4}${\textperiodcentered} 6Te$_{4}$Se$_{2}$. Two Selenidoarsenates with Six-Membered Chalcogen Rings
;

# Found in Pearson's Crystal Data - Crystal Structure Database for Inorganic Compounds, 2013

_aflow_title 'Rb$_{3}$AsSe$_{16}$ Structure'
_aflow_proto 'AB3C16_cF160_203_a_bc_eg'
_aflow_params 'a,x_{4},x_{5},y_{5},z_{5}'
_aflow_params_values '16.6600284675,0.20516,0.01201,0.111,0.42978'
_aflow_Strukturbericht 'None'
_aflow_Pearson 'cF160'

_cell_length_a    16.6600284675
_cell_length_b    16.6600284675
_cell_length_c    16.6600284675
_cell_angle_alpha 90.0000000000
_cell_angle_beta  90.0000000000
_cell_angle_gamma 90.0000000000
 
_symmetry_space_group_name_H-M "F 2/d -3 (origin choice 2)"
_symmetry_Int_Tables_number 203
 
loop_
_space_group_symop_id
_space_group_symop_operation_xyz
1 x,y,z
2 x,-y+3/4,-z+3/4
3 -x+3/4,y,-z+3/4
4 -x+3/4,-y+3/4,z
5 y,z,x
6 y,-z+3/4,-x+3/4
7 -y+3/4,z,-x+3/4
8 -y+3/4,-z+3/4,x
9 z,x,y
10 z,-x+3/4,-y+3/4
11 -z+3/4,x,-y+3/4
12 -z+3/4,-x+3/4,y
13 -x,-y,-z
14 -x,y+1/4,z+1/4
15 x+1/4,-y,z+1/4
16 x+1/4,y+1/4,-z
17 -y,-z,-x
18 -y,z+1/4,x+1/4
19 y+1/4,-z,x+1/4
20 y+1/4,z+1/4,-x
21 -z,-x,-y
22 -z,x+1/4,y+1/4
23 z+1/4,-x,y+1/4
24 z+1/4,x+1/4,-y
25 x,y+1/2,z+1/2
26 x,-y+1/4,-z+1/4
27 -x+3/4,y+1/2,-z+1/4
28 -x+3/4,-y+1/4,z+1/2
29 y,z+1/2,x+1/2
30 y,-z+1/4,-x+1/4
31 -y+3/4,z+1/2,-x+1/4
32 -y+3/4,-z+1/4,x+1/2
33 z,x+1/2,y+1/2
34 z,-x+1/4,-y+1/4
35 -z+3/4,x+1/2,-y+1/4
36 -z+3/4,-x+1/4,y+1/2
37 -x,-y+1/2,-z+1/2
38 -x,y+3/4,z+3/4
39 x+1/4,-y+1/2,z+3/4
40 x+1/4,y+3/4,-z+1/2
41 -y,-z+1/2,-x+1/2
42 -y,z+3/4,x+3/4
43 y+1/4,-z+1/2,x+3/4
44 y+1/4,z+3/4,-x+1/2
45 -z,-x+1/2,-y+1/2
46 -z,x+3/4,y+3/4
47 z+1/4,-x+1/2,y+3/4
48 z+1/4,x+3/4,-y+1/2
49 x+1/2,y,z+1/2
50 x+1/2,-y+3/4,-z+1/4
51 -x+1/4,y,-z+1/4
52 -x+1/4,-y+3/4,z+1/2
53 y+1/2,z,x+1/2
54 y+1/2,-z+3/4,-x+1/4
55 -y+1/4,z,-x+1/4
56 -y+1/4,-z+3/4,x+1/2
57 z+1/2,x,y+1/2
58 z+1/2,-x+3/4,-y+1/4
59 -z+1/4,x,-y+1/4
60 -z+1/4,-x+3/4,y+1/2
61 -x+1/2,-y,-z+1/2
62 -x+1/2,y+1/4,z+3/4
63 x+3/4,-y,z+3/4
64 x+3/4,y+1/4,-z+1/2
65 -y+1/2,-z,-x+1/2
66 -y+1/2,z+1/4,x+3/4
67 y+3/4,-z,x+3/4
68 y+3/4,z+1/4,-x+1/2
69 -z+1/2,-x,-y+1/2
70 -z+1/2,x+1/4,y+3/4
71 z+3/4,-x,y+3/4
72 z+3/4,x+1/4,-y+1/2
73 x+1/2,y+1/2,z
74 x+1/2,-y+1/4,-z+3/4
75 -x+1/4,y+1/2,-z+3/4
76 -x+1/4,-y+1/4,z
77 y+1/2,z+1/2,x
78 y+1/2,-z+1/4,-x+3/4
79 -y+1/4,z+1/2,-x+3/4
80 -y+1/4,-z+1/4,x
81 z+1/2,x+1/2,y
82 z+1/2,-x+1/4,-y+3/4
83 -z+1/4,x+1/2,-y+3/4
84 -z+1/4,-x+1/4,y
85 -x+1/2,-y+1/2,-z
86 -x+1/2,y+3/4,z+1/4
87 x+3/4,-y+1/2,z+1/4
88 x+3/4,y+3/4,-z
89 -y+1/2,-z+1/2,-x
90 -y+1/2,z+3/4,x+1/4
91 y+3/4,-z+1/2,x+1/4
92 y+3/4,z+3/4,-x
93 -z+1/2,-x+1/2,-y
94 -z+1/2,x+3/4,y+1/4
95 z+3/4,-x+1/2,y+1/4
96 z+3/4,x+3/4,-y
 
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_symmetry_multiplicity
_atom_site_Wyckoff_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
As1 As   8 a 0.12500 0.12500 0.12500 1.00000
Rb1 Rb   8 b 0.62500 0.62500 0.62500 1.00000
Rb2 Rb  16 c 0.00000 0.00000 0.00000 1.00000
Se1 Se  32 e 0.20516 0.20516 0.20516 1.00000
Se2 Se  96 g 0.01201 0.11100 0.42978 1.00000
