# CIF file
data_findsym-output
_audit_creation_method FINDSYM

_chemical_name_mineral 'CdI2'
_chemical_formula_sum 'Cd I2'

loop_
_publ_author_name
 'R. S. Mitchell'
_journal_name_full_name
;
 Zeitschrift f{\"u}r Kristallographie - Crystalline Materials
;
_journal_volume 108
_journal_year 1956
_journal_page_first 296
_journal_page_last 315
_publ_Section_title
;
 Polytypism of Cadmium Iodide and its Relationship to Screw Dislocations: I. Cadmium Iodide Polytypes
;

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

_aflow_title 'CdI$_{2}$ (Polytype 6H$_{1}$) Structure'
_aflow_proto 'AB2_hP9_156_b2c_3a2bc'
_aflow_params 'a,c/a,z_{1},z_{2},z_{3},z_{4},z_{5},z_{6},z_{7},z_{8},z_{9}'
_aflow_params_values '4.239807232,4.83608490569,0.0,0.66667,0.33333,0.75,0.16667,0.5,0.08333,0.41667,0.83333'
_aflow_Strukturbericht 'None'
_aflow_Pearson 'hP9'

_cell_length_a    4.2398072320
_cell_length_b    4.2398072320
_cell_length_c    20.5040677577
_cell_angle_alpha 90.0000000000
_cell_angle_beta  90.0000000000
_cell_angle_gamma 120.0000000000
 
_symmetry_space_group_name_H-M "P 3 m 1"
_symmetry_Int_Tables_number 156
 
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
 
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
I1  I    1 a 0.00000 0.00000 0.00000 1.00000
I2  I    1 a 0.00000 0.00000 0.66667 1.00000
I3  I    1 a 0.00000 0.00000 0.33333 1.00000
Cd1 Cd   1 b 0.33333 0.66667 0.75000 1.00000
I4  I    1 b 0.33333 0.66667 0.16667 1.00000
I5  I    1 b 0.33333 0.66667 0.50000 1.00000
Cd2 Cd   1 c 0.66667 0.33333 0.08333 1.00000
Cd3 Cd   1 c 0.66667 0.33333 0.41667 1.00000
I6  I    1 c 0.66667 0.33333 0.83333 1.00000
