# generated using pymatgen data_Ba4Ir6O19 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 8.20939989 _cell_length_b 8.20949927 _cell_length_c 8.20950825 _cell_angle_alpha 109.47480584 _cell_angle_beta 109.46892118 _cell_angle_gamma 109.47216516 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ba4Ir6O19 _chemical_formula_sum 'Ba4 Ir6 O19' _cell_volume 425.90366516 _cell_formula_units_Z 1 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 0.00001061 0.31010139 0.00003887 1.0 Ba Ba1 1 0.00000530 0.99998883 0.31007933 1.0 Ba Ba2 1 0.68991840 0.68990085 0.68992065 1.0 Ba Ba3 1 0.31007655 0.00001247 0.99996554 1.0 Ir Ir4 1 0.49999377 0.34008323 0.84007313 1.0 Ir Ir5 1 0.50001679 0.65992691 0.15992390 1.0 Ir Ir6 1 0.34007953 0.84006111 0.50000223 1.0 Ir Ir7 1 0.65994729 0.15993179 0.50002707 1.0 Ir Ir8 1 0.84004697 0.49998808 0.34005425 1.0 Ir Ir9 1 0.15995607 0.50002380 0.65994548 1.0 O O10 1 0.69418860 0.33685235 0.05036187 1.0 O O11 1 0.66310811 0.35737443 0.71351387 1.0 O O12 1 0.28654754 0.64391210 0.94961746 1.0 O O13 1 0.64264966 0.30575058 0.35614166 1.0 O O14 1 0.35734881 0.71349021 0.66307793 1.0 O O15 1 0.94965852 0.28657976 0.64391903 1.0 O O16 1 0.05036435 0.69421018 0.33687062 1.0 O O17 1 0.00002166 0.63655640 0.63654116 1.0 O O18 1 0.63654997 0.63652051 0.00001234 1.0 O O19 1 0.71347189 0.66306739 0.35734747 1.0 O O20 1 0.33683959 0.05035202 0.69420023 1.0 O O21 1 0.63650927 0.99999732 0.63652580 1.0 O O22 1 0.99997259 0.36345834 0.36348458 1.0 O O23 1 0.64392856 0.94964080 0.28655607 1.0 O O24 1 0.35611496 0.64262935 0.30575318 1.0 O O25 1 0.30575551 0.35615433 0.64264422 1.0 O O26 1 0.36348147 0.99996112 0.36345903 1.0 O O27 1 0.36343096 0.36346855 0.99993882 1.0 O O28 1 0.00000671 0.00000479 0.00000722 1.0