# CIF file
data_findsym-output
_audit_creation_method FINDSYM

_chemical_name_mineral 'Ir3Ge7'
_chemical_formula_sum 'Ge7 Ir3'

loop_
_publ_author_name
 'U. H\"{a}ussermann'
 'M. {Elding-Pont\\'{e}n}'
 'C. Svensson'
 'S. Lidin'
_journal_name_full_name
;
 Chemistry - A European Journal
;
_journal_volume 4
_journal_year 1998
_journal_page_first 1007
_journal_page_last 1015
_publ_Section_title
;
 Compounds with the Ir$_{3}$Ge$_{7}$ Structure Type: Interpenetrating Frameworks with Flexible Bonding Properties
;

# Found in Diffusion of $^{111}$Cd probes in Ga$_{7}$Pt$_{3}$ studied via nuclear quadrupole relaxation, 2007

_aflow_title 'Ir$_{3}$Ge$_{7}$ ($D8_{f}$) Structure'
_aflow_proto 'A7B3_cI40_229_df_e'
_aflow_params 'a,x_{2},x_{3}'
_aflow_params_values '8.735,0.342,0.156'
_aflow_Strukturbericht '$D8_{f}$'
_aflow_Pearson 'cI40'

_symmetry_space_group_name_H-M "I 4/m -3 2/m"
_symmetry_Int_Tables_number 229
 
_cell_length_a    8.73500
_cell_length_b    8.73500
_cell_length_c    8.73500
_cell_angle_alpha 90.00000
_cell_angle_beta  90.00000
_cell_angle_gamma 90.00000
 
loop_
_space_group_symop_id
_space_group_symop_operation_xyz
1 x,y,z
2 x,-y,-z
3 -x,y,-z
4 -x,-y,z
5 y,z,x
6 y,-z,-x
7 -y,z,-x
8 -y,-z,x
9 z,x,y
10 z,-x,-y
11 -z,x,-y
12 -z,-x,y
13 -y,-x,-z
14 -y,x,z
15 y,-x,z
16 y,x,-z
17 -x,-z,-y
18 -x,z,y
19 x,-z,y
20 x,z,-y
21 -z,-y,-x
22 -z,y,x
23 z,-y,x
24 z,y,-x
25 -x,-y,-z
26 -x,y,z
27 x,-y,z
28 x,y,-z
29 -y,-z,-x
30 -y,z,x
31 y,-z,x
32 y,z,-x
33 -z,-x,-y
34 -z,x,y
35 z,-x,y
36 z,x,-y
37 y,x,z
38 y,-x,-z
39 -y,x,-z
40 -y,-x,z
41 x,z,y
42 x,-z,-y
43 -x,z,-y
44 -x,-z,y
45 z,y,x
46 z,-y,-x
47 -z,y,-x
48 -z,-y,x
49 x+1/2,y+1/2,z+1/2
50 x+1/2,-y+1/2,-z+1/2
51 -x+1/2,y+1/2,-z+1/2
52 -x+1/2,-y+1/2,z+1/2
53 y+1/2,z+1/2,x+1/2
54 y+1/2,-z+1/2,-x+1/2
55 -y+1/2,z+1/2,-x+1/2
56 -y+1/2,-z+1/2,x+1/2
57 z+1/2,x+1/2,y+1/2
58 z+1/2,-x+1/2,-y+1/2
59 -z+1/2,x+1/2,-y+1/2
60 -z+1/2,-x+1/2,y+1/2
61 -y+1/2,-x+1/2,-z+1/2
62 -y+1/2,x+1/2,z+1/2
63 y+1/2,-x+1/2,z+1/2
64 y+1/2,x+1/2,-z+1/2
65 -x+1/2,-z+1/2,-y+1/2
66 -x+1/2,z+1/2,y+1/2
67 x+1/2,-z+1/2,y+1/2
68 x+1/2,z+1/2,-y+1/2
69 -z+1/2,-y+1/2,-x+1/2
70 -z+1/2,y+1/2,x+1/2
71 z+1/2,-y+1/2,x+1/2
72 z+1/2,y+1/2,-x+1/2
73 -x+1/2,-y+1/2,-z+1/2
74 -x+1/2,y+1/2,z+1/2
75 x+1/2,-y+1/2,z+1/2
76 x+1/2,y+1/2,-z+1/2
77 -y+1/2,-z+1/2,-x+1/2
78 -y+1/2,z+1/2,x+1/2
79 y+1/2,-z+1/2,x+1/2
80 y+1/2,z+1/2,-x+1/2
81 -z+1/2,-x+1/2,-y+1/2
82 -z+1/2,x+1/2,y+1/2
83 z+1/2,-x+1/2,y+1/2
84 z+1/2,x+1/2,-y+1/2
85 y+1/2,x+1/2,z+1/2
86 y+1/2,-x+1/2,-z+1/2
87 -y+1/2,x+1/2,-z+1/2
88 -y+1/2,-x+1/2,z+1/2
89 x+1/2,z+1/2,y+1/2
90 x+1/2,-z+1/2,-y+1/2
91 -x+1/2,z+1/2,-y+1/2
92 -x+1/2,-z+1/2,y+1/2
93 z+1/2,y+1/2,x+1/2
94 z+1/2,-y+1/2,-x+1/2
95 -z+1/2,y+1/2,-x+1/2
96 -z+1/2,-y+1/2,x+1/2
 
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
Ge1 Ge  12 d 0.25000 0.00000 0.50000 1.00000
Ir1 Ir  12 e 0.34200 0.00000 0.00000 1.00000
Ge2 Ge  16 f 0.15600 0.15600 0.15600 1.00000
