# CIF file 

data_findsym-output
_audit_creation_method FINDSYM

_chemical_name_mineral 'trigonal omega'
_chemical_formula_sum 'Cd I2'
 
loop_
_publ_author_name
 'Richard M. Bozorth'
_journal_name_full
;
Journal of the American Chemical Society
;
_journal_volume 44
_journal_year 1922
_journal_page_first 2232
_journal_page_last 2236
_publ_Section_title
;
 The Crystal Structure of Cadmium Iodide
;

# Found in  Strukturbericht Vol. I, pp. 161-3

_aflow_proto 'AB2_hP3_164_a_d' 
_aflow_params 'a,c/a,z2' 
_aflow_params_values '4.24,1.61320754717,0.252' 
_aflow_Strukturbericht 'C6' 
_aflow_Pearson 'hP3' 

_symmetry_space_group_name_Hall "-P 3 2"
_symmetry_space_group_name_H-M "P -3 m 1"
_symmetry_Int_Tables_number 164

_cell_length_a    4.24000
_cell_length_b    4.24000
_cell_length_c    6.84000
_cell_angle_alpha 90.00000
_cell_angle_beta  90.00000
_cell_angle_gamma 120.00000
 
loop_
_space_group_symop_id
_space_group_symop_operation_xyz
1 x,y,z
2 -y,x-y,z
3 -x+y,-x,z
4 x-y,-y,-z
5 y,x,-z
6 -x,-x+y,-z
7 -x,-y,-z
8 y,-x+y,-z
9 x-y,x,-z
10 -x+y,y,z
11 -y,-x,z
12 x,x-y,z
 
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
Cd1 Cd   1 a 0.00000 0.00000 0.00000 1.00000
I1  I    2 d 0.33333 0.66667 0.25200 1.00000
