# generated using pymatgen data_Ba4Ir3O10 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 13.19379536 _cell_length_b 5.81274429 _cell_length_c 7.31757034 _cell_angle_alpha 67.36997626 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ba4Ir3O10 _chemical_formula_sum 'Ba8 Ir6 O20' _cell_volume 517.99273588 _cell_formula_units_Z 2 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 Ba Ba0 1 0.63717301 0.03515191 0.91681377 1.0 Ba Ba1 1 0.13717301 0.46484809 0.08318623 1.0 Ba Ba2 1 0.36282699 0.96484809 0.08318623 1.0 Ba Ba3 1 0.86282699 0.53515191 0.91681377 1.0 Ba Ba4 1 0.61153003 0.73903217 0.51542581 1.0 Ba Ba5 1 0.11153003 0.76096783 0.48457419 1.0 Ba Ba6 1 0.88846997 0.23903217 0.51542581 1.0 Ba Ba7 1 0.38846997 0.26096783 0.48457419 1.0 Ir Ir8 1 -0.00000000 -0.00000000 0.00000000 1.0 Ir Ir9 1 0.50000000 0.50000000 0.00000000 1.0 Ir Ir10 1 0.84997531 0.86935369 0.24039845 1.0 Ir Ir11 1 0.34997531 0.63064631 0.75960155 1.0 Ir Ir12 1 0.15002469 0.13064631 0.75960155 1.0 Ir Ir13 1 0.65002469 0.36935369 0.24039845 1.0 O O14 1 0.27239788 0.92685993 0.76743286 1.0 O O15 1 0.77239788 0.57314007 0.23256714 1.0 O O16 1 0.72760212 0.07314007 0.23256714 1.0 O O17 1 0.22760212 0.42685993 0.76743286 1.0 O O18 1 0.34887906 0.76882107 0.47032504 1.0 O O19 1 0.84887906 0.73117893 0.52967496 1.0 O O20 1 0.65112094 0.23117893 0.52967496 1.0 O O21 1 0.15112094 0.26882107 0.47032504 1.0 O O22 1 0.45930296 0.36595432 0.78824016 1.0 O O23 1 0.95930296 0.13404568 0.21175984 1.0 O O24 1 0.54069704 0.63404568 0.21175984 1.0 O O25 1 0.04069704 0.86595432 0.78824016 1.0 O O26 1 0.47399107 0.83946761 0.77675505 1.0 O O27 1 0.97399107 0.66053239 0.22324495 1.0 O O28 1 0.15082683 0.97499816 0.07489006 1.0 O O29 1 0.65082683 0.52500184 0.92510994 1.0 O O30 1 0.84917317 0.02500184 0.92510994 1.0 O O31 1 0.34917317 0.47499816 0.07489006 1.0 O O32 1 0.02600893 0.33946761 0.77675505 1.0 O O33 1 0.52600893 0.16053239 0.22324495 1.0