# CIF file 

data_findsym-output
_audit_creation_method FINDSYM

_chemical_name_mineral 'Tetraauricupride'
_chemical_formula_sum 'Cu Au'
 
loop_
_publ_author_name
 'Peter Bayliss'
_journal_name_full
;
Canadian Mineralogist
;
_journal_volume 28
_journal_year 1990
_journal_page_first 751
_journal_page_last 755
_publ_Section_title
;
 Revised Unit-Cell Dimensions, Space Group, and Chemical Formula of Some Metallic Materials
;

# Found in  AMS database

_aflow_proto 'AB_tP2_123_a_d' 
_aflow_params 'a,c/a' 
_aflow_params_values '2.8,1.31071428571' 
_aflow_Strukturbericht 'L1_0' 
_aflow_Pearson 'tP2' 

_symmetry_space_group_name_Hall "-P 4 2"
_symmetry_space_group_name_H-M "P 4/m m m"
_symmetry_Int_Tables_number 123

_cell_length_a    2.80000
_cell_length_b    2.80000
_cell_length_c    3.67000
_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
3 -x,y,-z
4 -x,-y,z
5 -y,-x,-z
6 -y,x,z
7 y,-x,z
8 y,x,-z
9 -x,-y,-z
10 -x,y,z
11 x,-y,z
12 x,y,-z
13 y,x,z
14 y,-x,-z
15 -y,x,-z
16 -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 0.00000 1.00000
Cu1 Cu   1 d 0.50000 0.50000 0.50000 1.00000
