# CIF file
data_findsym-output
_audit_creation_method FINDSYM

_chemical_name_mineral 'AuCN'
_chemical_formula_sum 'Au C N'

loop_
_publ_author_name
 'S. J. Hibble'
 'A. C. Hannon'
 'S. M. Cheyne'
_journal_name_full_name
;
 Inorganic Chemistry
;
_journal_volume 42
_journal_year 2003
_journal_page_first 4724
_journal_page_last 4730
_publ_Section_title
;
 Structure of AuCN determined from total neutron diffraction
;

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

_aflow_title 'AuCN Structure'
_aflow_proto 'ABC_hP3_183_a_a_a'
_aflow_params 'a,c/a,z_{1},z_{2},z_{3}'
_aflow_params_values '3.3908401495,1.49568037743,0.608,0.0,0.226'
_aflow_Strukturbericht 'None'
_aflow_Pearson 'hP3'

_cell_length_a    3.3908401495
_cell_length_b    3.3908401495
_cell_length_c    5.0716130746
_cell_angle_alpha 90.0000000000
_cell_angle_beta  90.0000000000
_cell_angle_gamma 120.0000000000
 
_symmetry_space_group_name_H-M "P 6 m m"
_symmetry_Int_Tables_number 183
 
loop_
_space_group_symop_id
_space_group_symop_operation_xyz
1 x,y,z
2 x-y,x,z
3 -y,x-y,z
4 -x,-y,z
5 -x+y,-x,z
6 y,-x+y,z
7 -x+y,y,z
8 -x,-x+y,z
9 -y,-x,z
10 x-y,-y,z
11 x,x-y,z
12 y,x,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
Au1 Au   1 a 0.00000 0.00000 0.60800 1.00000
C1  C    1 a 0.00000 0.00000 0.00000 1.00000
N1  N    1 a 0.00000 0.00000 0.22600 1.00000
