# CIF file
data_findsym-output
_audit_creation_method FINDSYM

_chemical_name_mineral 'Cu2Fe[CN]6'
_chemical_formula_sum 'C12 Cu2 Fe'

loop_
_publ_author_name
 'R. Rigamonti'
_journal_name_full_name
;
 Gazzetta Chimica Italiana
;
_journal_volume 67
_journal_year 1937
_journal_page_first 137
_journal_page_last 146
_publ_Section_title
;
 Structure of Cupriferrocyanides I. Copper Ferrocyanide and Potassium Copper Ferrocyanide
;

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

_aflow_title 'Cu$_{2}$Fe[CN]$_{6}$ Structure'
_aflow_proto 'A12B2C_cF60_196_h_bc_a'
_aflow_params 'a,x_{4},y_{4},z_{4}'
_aflow_params_values '9.9799933334,0.0,0.0625,0.25'
_aflow_Strukturbericht 'None'
_aflow_Pearson 'cF60'

_cell_length_a    9.9799933334
_cell_length_b    9.9799933334
_cell_length_c    9.9799933334
_cell_angle_alpha 90.0000000000
_cell_angle_beta  90.0000000000
_cell_angle_gamma 90.0000000000
 
_symmetry_space_group_name_H-M "F 2 3"
_symmetry_Int_Tables_number 196
 
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 x,y+1/2,z+1/2
14 x,-y+1/2,-z+1/2
15 -x,y+1/2,-z+1/2
16 -x,-y+1/2,z+1/2
17 y,z+1/2,x+1/2
18 y,-z+1/2,-x+1/2
19 -y,z+1/2,-x+1/2
20 -y,-z+1/2,x+1/2
21 z,x+1/2,y+1/2
22 z,-x+1/2,-y+1/2
23 -z,x+1/2,-y+1/2
24 -z,-x+1/2,y+1/2
25 x+1/2,y,z+1/2
26 x+1/2,-y,-z+1/2
27 -x+1/2,y,-z+1/2
28 -x+1/2,-y,z+1/2
29 y+1/2,z,x+1/2
30 y+1/2,-z,-x+1/2
31 -y+1/2,z,-x+1/2
32 -y+1/2,-z,x+1/2
33 z+1/2,x,y+1/2
34 z+1/2,-x,-y+1/2
35 -z+1/2,x,-y+1/2
36 -z+1/2,-x,y+1/2
37 x+1/2,y+1/2,z
38 x+1/2,-y+1/2,-z
39 -x+1/2,y+1/2,-z
40 -x+1/2,-y+1/2,z
41 y+1/2,z+1/2,x
42 y+1/2,-z+1/2,-x
43 -y+1/2,z+1/2,-x
44 -y+1/2,-z+1/2,x
45 z+1/2,x+1/2,y
46 z+1/2,-x+1/2,-y
47 -z+1/2,x+1/2,-y
48 -z+1/2,-x+1/2,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
Fe1 Fe   4 a 0.00000 0.00000 0.00000 1.00000
Cu1 Cu   4 b 0.50000 0.50000 0.50000 1.00000
Cu2 Cu   4 c 0.25000 0.25000 0.25000 1.00000
C1 C   48 h 0.00000 0.06250 0.25000 1.00000
