# generated using pymatgen data_K3Ba2Pr2(BiO5)3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.28651922 _cell_length_b 6.28650457 _cell_length_c 31.39736720 _cell_angle_alpha 59.96282277 _cell_angle_beta 59.96263100 _cell_angle_gamma 59.99997076 _symmetry_Int_Tables_number 1 _chemical_formula_structural K3Ba2Pr2(BiO5)3 _chemical_formula_sum 'K6 Ba4 Pr4 Bi6 O30' _cell_volume 876.90534611 _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 K K0 1 0.25620920 0.25621581 0.04627320 1.0 K K1 1 0.25118980 0.25119261 0.24928643 1.0 K K2 1 0.74883848 0.74884247 0.55069705 1.0 K K3 1 0.24681591 0.24681122 0.85191172 1.0 K K4 1 0.74376938 0.74378103 0.75373245 1.0 K K5 1 0.75307397 0.75307720 0.94815396 1.0 Ba Ba6 1 0.75507722 0.75507319 0.14695403 1.0 Ba Ba7 1 0.24921542 0.24921532 0.45047101 1.0 Ba Ba8 1 0.75065361 0.75065661 0.34960715 1.0 Ba Ba9 1 0.24512900 0.24513151 0.65292239 1.0 Pr Pr10 1 0.50716552 0.50716508 0.09570001 1.0 Pr Pr11 1 0.50311443 0.50311474 0.29813086 1.0 Pr Pr12 1 0.49662241 0.49662397 0.50202231 1.0 Pr Pr13 1 0.49309951 0.49309835 0.70414148 1.0 Bi Bi14 1 0.00443045 0.00443021 0.99734204 1.0 Bi Bi15 1 0.00276336 0.00276203 0.19834264 1.0 Bi Bi16 1 -0.00004986 -0.00005081 0.40003034 1.0 Bi Bi17 1 0.99735006 0.99734974 0.60158991 1.0 Bi Bi18 1 0.99552209 0.99552159 0.80268683 1.0 Bi Bi19 1 0.49996783 0.49996737 0.90001965 1.0 O O20 1 0.24165222 0.24165073 0.15105879 1.0 O O21 1 0.22919636 0.76742928 0.04718928 1.0 O O22 1 0.76743041 0.22919601 0.04718929 1.0 O O23 1 0.24165109 0.76140347 0.15105846 1.0 O O24 1 0.23934419 0.23934388 0.35449816 1.0 O O25 1 0.23630578 0.76412506 0.24708838 1.0 O O26 1 0.76140399 0.24165232 0.15105857 1.0 O O27 1 0.76742940 0.76742753 0.04718919 1.0 O O28 1 0.76412611 0.23630557 0.24708842 1.0 O O29 1 0.23934452 0.74882243 0.35449795 1.0 O O30 1 0.23581701 0.23581863 0.55293507 1.0 O O31 1 0.25106792 0.76074027 0.44549060 1.0 O O32 1 0.74882358 0.23934321 0.35449794 1.0 O O33 1 0.76412644 0.76412568 0.24708840 1.0 O O34 1 0.76074022 0.25106768 0.44549054 1.0 O O35 1 0.23581804 0.76368999 0.55293515 1.0 O O36 1 0.23250550 0.23250368 0.75281109 1.0 O O37 1 0.23845330 0.75844392 0.64893172 1.0 O O38 1 0.76369185 0.23581632 0.55293505 1.0 O O39 1 0.76073982 0.76074106 0.44549048 1.0 O O40 1 0.75844369 0.23845344 0.64893172 1.0 O O41 1 0.23250409 0.77093495 0.75281133 1.0 O O42 1 0.25253695 0.25253442 0.94845317 1.0 O O43 1 0.24743323 0.74743800 0.85153808 1.0 O O44 1 0.77093498 0.23250160 0.75281150 1.0 O O45 1 0.75844481 0.75844413 0.64893190 1.0 O O46 1 0.74743983 0.24743326 0.85153783 1.0 O O47 1 0.25253667 0.75266075 0.94845385 1.0 O O48 1 0.75266122 0.25253511 0.94845400 1.0 O O49 1 0.74743902 0.74743837 0.85153865 1.0