# CIF file
data_findsym-output
_audit_creation_method FINDSYM

_chemical_name_mineral 'Al2CuIr'
_chemical_formula_sum 'Al2 Cu Ir'

loop_
_publ_author_name
 'L. Meshi'
 'V. Ezersky'
 'D. Kapush'
 'B. Grushko'
_journal_name_full_name
;
 Journal of Alloys and Compounds
;
_journal_volume 496
_journal_year 2010
_journal_page_first 208
_journal_page_last 211
_publ_Section_title
;
 Crystal structure of the Al$_{2}$CuIr phase
;

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

_aflow_title 'Al$_{2}$CuIr Structure'
_aflow_proto 'A2BC_oC16_67_ag_b_g'
_aflow_params 'a,b/a,c/a,z_{3},z_{4}'
_aflow_params_values '5.0644067238,1.60320657112,1.02379259962,0.3305,0.8198'
_aflow_Strukturbericht 'None'
_aflow_Pearson 'oC16'

_cell_length_a    5.0644067238
_cell_length_b    8.1192901384
_cell_length_c    5.1849021253
_cell_angle_alpha 90.0000000000
_cell_angle_beta  90.0000000000
_cell_angle_gamma 90.0000000000
 
_symmetry_space_group_name_H-M "C 2/m 2/m 2/a"
_symmetry_Int_Tables_number 67
 
loop_
_space_group_symop_id
_space_group_symop_operation_xyz
1 x,y,z
2 x,-y,-z
3 -x+1/2,y,-z
4 -x+1/2,-y,z
5 -x,-y,-z
6 -x,y,z
7 x+1/2,-y,z
8 x+1/2,y,-z
9 x+1/2,y+1/2,z
10 x+1/2,-y+1/2,-z
11 -x,y+1/2,-z
12 -x,-y+1/2,z
13 -x+1/2,-y+1/2,-z
14 -x+1/2,y+1/2,z
15 x,-y+1/2,z
16 x,y+1/2,-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
Al1 Al   4 a 0.25000 0.00000 0.00000 1.00000
Cu1 Cu   4 b 0.25000 0.00000 0.50000 1.00000
Al2 Al   4 g 0.00000 0.25000 0.33050 1.00000
Ir1 Ir   4 g 0.00000 0.25000 0.81980 1.00000
