# CIF file
data_findsym-output
_audit_creation_method FINDSYM

_chemical_name_mineral 'Ir3Ga5'
_chemical_formula_sum 'Ga5 Ir3'

loop_
_publ_author_name
 'H. V{ö}llenkle'
 'A. Wittmann'
 'H. Nowotny'
_journal_name_full_name
;
 Monatshefte f{\"u}r Chemie - Chemical Monthly
;
_journal_volume 98
_journal_year 1967
_journal_page_first 176
_journal_page_last 183
_publ_Section_title
;
 Die Kristallstrukturen von Rh$_{10}$Ga$_{17}$ und Ir$_{3}$Ga$_{5}$
;

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

_aflow_title 'Ir$_{3}$Ga$_{5}$ Structure'
_aflow_proto 'A5B3_tP32_118_g2i_aceh'
_aflow_params 'a,c/a,z_{3},x_{4},z_{5},x_{6},y_{6},z_{6},x_{7},y_{7},z_{7}'
_aflow_params_values '5.8229835854,2.43860552978,0.6709,0.675,0.5861,0.73,0.85,0.5515,0.84,0.8,0.15'
_aflow_Strukturbericht 'None'
_aflow_Pearson 'tP32'

_cell_length_a    5.8229835854
_cell_length_b    5.8229835854
_cell_length_c    14.1999599712
_cell_angle_alpha 90.0000000000
_cell_angle_beta  90.0000000000
_cell_angle_gamma 90.0000000000
 
_symmetry_space_group_name_H-M "P -4 n 2"
_symmetry_Int_Tables_number 118
 
loop_
_space_group_symop_id
_space_group_symop_operation_xyz
1 x,y,z
2 -x,-y,z
3 -y+1/2,-x+1/2,-z+1/2
4 y+1/2,x+1/2,-z+1/2
5 -x+1/2,y+1/2,z+1/2
6 x+1/2,-y+1/2,z+1/2
7 y,-x,-z
8 -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
Ir1 Ir   2 a 0.00000 0.00000 0.00000 1.00000
Ir2 Ir   2 c 0.00000 0.50000 0.25000 1.00000
Ir3 Ir   4 e 0.00000 0.00000 0.67090 1.00000
Ga1 Ga   4 g 0.67500 0.17500 0.25000 1.00000
Ir4 Ir   4 h 0.00000 0.50000 0.58610 1.00000
Ga2 Ga   8 i 0.73000 0.85000 0.55150 1.00000
Ga3 Ga   8 i 0.84000 0.80000 0.15000 1.00000
