# CIF file
data_findsym-output
_audit_creation_method FINDSYM

_chemical_name_mineral 'AuF3'
_chemical_formula_sum 'Au F3'

loop_
_publ_author_name
 'L. B. Asprey'
 'F. H. Kruse'
 'K. H. Jack'
 'R. Maitland'
_journal_name_full_name
;
 Inorganic Chemistry
;
_journal_volume 3
_journal_year 1964
_journal_page_first 602
_journal_page_last 604
_publ_Section_title
;
 Preparation and properties of crystalline gold trifluoride
;

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

_aflow_title 'AuF$_{3}$ Structure'
_aflow_proto 'AB3_hP24_178_b_ac'
_aflow_params 'a,c/a,x_{1},x_{2},x_{3},y_{3},z_{3}'
_aflow_params_values '5.14898393,3.15789473684,0.8361,0.7601,0.5338,0.3099,-0.0053'
_aflow_Strukturbericht 'None'
_aflow_Pearson 'hP24'

_cell_length_a    5.1489839300
_cell_length_b    5.1489839300
_cell_length_c    16.2599492526
_cell_angle_alpha 90.0000000000
_cell_angle_beta  90.0000000000
_cell_angle_gamma 120.0000000000
 
_symmetry_space_group_name_H-M "P 61 2 2"
_symmetry_Int_Tables_number 178
 
loop_
_space_group_symop_id
_space_group_symop_operation_xyz
1 x,y,z
2 x-y,x,z+1/6
3 -y,x-y,z+1/3
4 -x,-y,z+1/2
5 -x+y,-x,z+2/3
6 y,-x+y,z+5/6
7 x-y,-y,-z
8 x,x-y,-z+1/6
9 y,x,-z+1/3
10 -x+y,y,-z+1/2
11 -x,-x+y,-z+2/3
12 -y,-x,-z+5/6
 
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
F1  F    6 a 0.83610 0.00000 0.00000  1.00000
Au1 Au   6 b 0.76010 0.52020 0.25000  1.00000
F2  F   12 c 0.53380 0.30990 -0.00530 1.00000
