# CIF file 
data_findsym-output
_audit_creation_method FINDSYM

_chemical_name_mineral ''
_chemical_formula_sum 'Hg I2'

loop_
_publ_author_name
 'D. Schwarzenbach'
 'H. Birkedal'
 'M. Hostettler'
 'P. Fischer'
_journal_name_full_name
;
 Acta Crystallographica Section B: Structural Science
;
_journal_volume 63
_journal_year 2007
_journal_page_first 826
_journal_page_last 835
_publ_Section_title
;
 Neutron diffraction investigation of the temperature dependence of crystal structure and thermal motions of red HgI$_{2}$
;

# Found in The American Mineralogist Crystal Structure Database, 2003

_aflow_title 'HgI$_{2}$ ($C13$) Structure'
_aflow_proto 'AB2_tP6_137_a_d'
_aflow_params 'a,c/a,z_{2}'
_aflow_params_values '4.3675,2.8551803091,0.389'
_aflow_Strukturbericht '$C13$'
_aflow_Pearson 'tP6'

_symmetry_space_group_name_H-M "P 42/n 21/m 2/c (origin choice 2)"
_symmetry_Int_Tables_number 137
 
_cell_length_a    4.36750
_cell_length_b    4.36750
_cell_length_c    12.47000
_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+1/2,-y,-z
3 -x,y+1/2,-z
4 -x+1/2,-y+1/2,z
5 -y,-x,-z+1/2
6 -y+1/2,x,z+1/2
7 y,-x+1/2,z+1/2
8 y+1/2,x+1/2,-z+1/2
9 -x,-y,-z
10 -x+1/2,y,z
11 x,-y+1/2,z
12 x+1/2,y+1/2,-z
13 y,x,z+1/2
14 y+1/2,-x,-z+1/2
15 -y,x+1/2,-z+1/2
16 -y+1/2,-x+1/2,z+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
Hg1 Hg   2 a 0.75000 0.25000 0.75000 1.00000
I1  I    4 d 0.25000 0.25000 0.38900 1.00000
