# CIF file 

data_findsym-output
_audit_creation_method FINDSYM

_chemical_name_mineral ''
_chemical_formula_sum 'Hg Br2'
 
loop_
_publ_author_name
 'H. Braekken'
_journal_name_full
;
Zeitschrift f\"{u}r Kristallographie - Crystalline Materials
;
_journal_volume 81
_journal_year 1932
_journal_page_first 152
_journal_page_last 154
_publ_Section_title
;
 Zur Kristallstruktur des Quecksilberbromids HgBr$_2$
;

# Found in  AMS Database

_aflow_proto 'A2B_oC12_36_2a_a' 
_aflow_params 'a,b/a,c/a,y1,z1,y2,z2,y3,z3' 
_aflow_params_values '4.624,1.46820934256,2.69139273356,0.333,0.0,0.061,0.134,0.395,0.366' 
_aflow_Strukturbericht 'C24' 
_aflow_Pearson 'oC12' 

_symmetry_space_group_name_Hall "C 2c -2"
_symmetry_space_group_name_H-M "C m c 21"
_symmetry_Int_Tables_number 36

_cell_length_a    4.62400
_cell_length_b    6.78900
_cell_length_c    12.44500
_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+1/2
3 -x,y,z
4 x,-y,z+1/2
5 x+1/2,y+1/2,z
6 -x+1/2,-y+1/2,z+1/2
7 -x+1/2,y+1/2,z
8 x+1/2,-y+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
Br1 Br   4 a 0.00000 0.33300 0.00000 1.00000
Br2 Br   4 a 0.00000 0.06100 0.13400 1.00000
Hg1 Hg   4 a 0.00000 0.39500 0.36600 1.00000
