# generated using pymatgen data_Ag3IrO4 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.42162900 _cell_length_b 7.42162900 _cell_length_c 8.26871400 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ag3IrO4 _chemical_formula_sum 'Ag12 Ir4 O16' _cell_volume 455.44553828 _cell_formula_units_Z 4 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Ag Ag0 1 0.00000000 0.17928800 0.00000000 1.0 Ag Ag1 1 0.00000000 0.75635200 0.00000000 1.0 Ag Ag2 1 0.00000000 0.24364800 0.50000000 1.0 Ag Ag3 1 0.00000000 0.82071200 0.50000000 1.0 Ag Ag4 1 0.19950900 0.50000000 0.25000000 1.0 Ag Ag5 1 0.17928800 0.00000000 0.75000000 1.0 Ag Ag6 1 0.24364800 0.00000000 0.25000000 1.0 Ag Ag7 1 0.50000000 0.19950900 0.50000000 1.0 Ag Ag8 1 0.50000000 0.80049100 0.00000000 1.0 Ag Ag9 1 0.75635200 0.00000000 0.75000000 1.0 Ag Ag10 1 0.82071200 0.00000000 0.25000000 1.0 Ag Ag11 1 0.80049100 0.50000000 0.75000000 1.0 Ir Ir12 1 0.27854400 0.50000000 0.75000000 1.0 Ir Ir13 1 0.50000000 0.27854400 0.00000000 1.0 Ir Ir14 1 0.50000000 0.72145600 0.50000000 1.0 Ir Ir15 1 0.72145600 0.50000000 0.25000000 1.0 O O16 1 0.08904200 0.31655100 0.74199100 1.0 O O17 1 0.08904200 0.68344900 0.75800900 1.0 O O18 1 0.31205500 0.47381000 0.98740800 1.0 O O19 1 0.31205500 0.52619000 0.51259200 1.0 O O20 1 0.31655100 0.08904200 0.00800900 1.0 O O21 1 0.31655100 0.91095800 0.49199100 1.0 O O22 1 0.47381000 0.31205500 0.76259200 1.0 O O23 1 0.47381000 0.68794500 0.73740800 1.0 O O24 1 0.52619000 0.31205500 0.23740800 1.0 O O25 1 0.52619000 0.68794500 0.26259200 1.0 O O26 1 0.68344900 0.91095800 0.50800900 1.0 O O27 1 0.68344900 0.08904200 0.99199100 1.0 O O28 1 0.68794500 0.47381000 0.01259200 1.0 O O29 1 0.68794500 0.52619000 0.48740800 1.0 O O30 1 0.91095800 0.31655100 0.25800900 1.0 O O31 1 0.91095800 0.68344900 0.24199100 1.0