# CIF file
data_findsym-output
_audit_creation_method FINDSYM

_chemical_name_mineral 'IrGe4'
_chemical_formula_sum 'Ge4 Ir'

loop_
_publ_author_name
 'K. Schubert'
 'S. Bhan'
 'T. K. Biswas'
 'K. Frank'
 'P. K. Panday'
_journal_name_full_name
;
 Naturwissenschaften
;
_journal_volume 55
_journal_year 1968
_journal_page_first 542
_journal_page_last 543
_publ_Section_title
;
 Einige Strukturdaten metallischer Phasen
;

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

_aflow_title 'IrGe$_{4}$ Structure'
_aflow_proto 'A4B_hP15_144_4a_a'
_aflow_params 'a,c/a,x_{1},y_{1},z_{1},x_{2},y_{2},z_{2},x_{3},y_{3},z_{3},x_{4},y_{4},z_{4},x_{5},y_{5},z_{5}'
_aflow_params_values '6.2151204722,1.25245374096,0.4904,0.2194,0.2268,0.2226,0.4873,0.1142,0.0775,0.0012,0.0,0.6097,0.0014,0.0018,0.3178,0.0008,0.5062'
_aflow_Strukturbericht 'None'
_aflow_Pearson 'hP15'

_cell_length_a    6.2151204722
_cell_length_b    6.2151204722
_cell_length_c    7.7841508859
_cell_angle_alpha 90.0000000000
_cell_angle_beta  90.0000000000
_cell_angle_gamma 120.0000000000
 
_symmetry_space_group_name_H-M "P 31"
_symmetry_Int_Tables_number 144
 
loop_
_space_group_symop_id
_space_group_symop_operation_xyz
1 x,y,z
2 -y,x-y,z+1/3
3 -x+y,-x,z+2/3
 
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
Ge1 Ge   3 a 0.49040 0.21940 0.22680 1.00000
Ge2 Ge   3 a 0.22260 0.48730 0.11420 1.00000
Ge3 Ge   3 a 0.07750 0.00120 0.00000 1.00000
Ge4 Ge   3 a 0.60970 0.00140 0.00180 1.00000
Ir1 Ir   3 a 0.31780 0.00080 0.50620 1.00000
