# generated using pymatgen data_Ba18Pr9Sn4Sb5O54 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.17392474 _cell_length_b 6.17392474 _cell_length_c 45.61158486 _cell_angle_alpha 89.76797772 _cell_angle_beta 89.76797772 _cell_angle_gamma 59.84229449 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ba18Pr9Sn4Sb5O54 _chemical_formula_sum 'Ba18 Pr9 Sn4 Sb5 O54' _cell_volume 1503.25052129 _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 0.33675700 0.33675700 0.03020400 1.0 Ba Ba1 1 0.66852700 0.66852700 0.14048500 1.0 Ba Ba2 1 0.99842700 0.99842700 0.24974200 1.0 Ba Ba3 1 0.99982700 0.99982700 0.08540400 1.0 Ba Ba4 1 0.33312300 0.33312300 0.36123500 1.0 Ba Ba5 1 0.33315600 0.33315600 0.19252900 1.0 Ba Ba6 1 0.66645300 0.66645300 0.47245500 1.0 Ba Ba7 1 0.66661100 0.66661100 0.30470800 1.0 Ba Ba8 1 0.00007700 0.00007700 0.58307100 1.0 Ba Ba9 1 0.00011900 0.00011900 0.41628300 1.0 Ba Ba10 1 0.33358400 0.33358400 0.69416100 1.0 Ba Ba11 1 0.33314700 0.33314700 0.52736300 1.0 Ba Ba12 1 0.66702700 0.66702700 0.80394600 1.0 Ba Ba13 1 0.66687300 0.66687300 0.63847300 1.0 Ba Ba14 1 0.00319100 0.00319100 0.91783000 1.0 Ba Ba15 1 0.00028900 0.00028900 0.74820800 1.0 Ba Ba16 1 0.33500400 0.33500400 0.85862000 1.0 Ba Ba17 1 0.66816200 0.66816200 0.97468200 1.0 Pr Pr18 1 0.66717000 0.66717000 0.05783300 1.0 Pr Pr19 1 0.66608000 0.66608000 0.22183100 1.0 Pr Pr20 1 0.99995000 0.99995000 0.33315600 1.0 Pr Pr21 1 0.33333400 0.33333400 0.44436700 1.0 Pr Pr22 1 0.66654300 0.66654300 0.55520800 1.0 Pr Pr23 1 0.33412500 0.33412500 0.77690900 1.0 Pr Pr24 1 0.99990100 0.99990100 0.66524200 1.0 Pr Pr25 1 0.66844500 0.66844500 0.88697500 1.0 Pr Pr26 1 0.33582300 0.33582300 0.94728200 1.0 Sn Sn27 1 0.00027600 0.00027600 0.00281300 1.0 Sn Sn28 1 0.00199100 0.00199100 0.16640100 1.0 Sn Sn29 1 0.66647500 0.66647500 0.72085900 1.0 Sn Sn30 1 0.99918300 0.99918300 0.83220400 1.0 Sb Sb31 1 0.33463400 0.33463400 0.11313100 1.0 Sb Sb32 1 0.33293400 0.33293400 0.27759200 1.0 Sb Sb33 1 0.66663000 0.66663000 0.38873600 1.0 Sb Sb34 1 0.99999000 0.99999000 0.49980200 1.0 Sb Sb35 1 0.33366000 0.33366000 0.61013600 1.0 O O36 1 0.03882600 0.49973800 0.08632400 1.0 O O37 1 0.82274400 0.30001500 0.03143600 1.0 O O38 1 0.49906100 0.49906100 0.09226100 1.0 O O39 1 0.82603000 0.82603000 0.02320500 1.0 O O40 1 0.49973800 0.03882600 0.08632400 1.0 O O41 1 0.30001500 0.82274400 0.03143600 1.0 O O42 1 0.33171100 0.85160600 0.18906500 1.0 O O43 1 0.15785500 0.64351100 0.14093300 1.0 O O44 1 0.85325200 0.85325200 0.19492500 1.0 O O45 1 0.16077900 0.16077900 0.13460300 1.0 O O46 1 0.85160600 0.33171100 0.18906500 1.0 O O47 1 0.64351100 0.15785500 0.14093300 1.0 O O48 1 0.65548900 0.19116600 0.30109200 1.0 O O49 1 0.47504100 0.01018900 0.25471600 1.0 O O50 1 0.19266900 0.19266900 0.30789100 1.0 O O51 1 0.47356800 0.47356800 0.24792600 1.0 O O52 1 0.19116600 0.65548900 0.30109200 1.0 O O53 1 0.01018900 0.47504100 0.25471600 1.0 O O54 1 0.98863800 0.52479300 0.41214900 1.0 O O55 1 0.80862600 0.34431500 0.36567900 1.0 O O56 1 0.52611200 0.52611200 0.41883500 1.0 O O57 1 0.80742200 0.80742200 0.35900600 1.0 O O58 1 0.52479300 0.98863800 0.41214900 1.0 O O59 1 0.34431500 0.80862600 0.36567900 1.0 O O60 1 0.32180300 0.85845600 0.52290500 1.0 O O61 1 0.14190500 0.67767100 0.47645800 1.0 O O62 1 0.85946000 0.85946000 0.52959000 1.0 O O63 1 0.14086000 0.14086000 0.46978700 1.0 O O64 1 0.85845600 0.32180300 0.52290500 1.0 O O65 1 0.67767100 0.14190500 0.47645800 1.0 O O66 1 0.65613300 0.19275800 0.63271800 1.0 O O67 1 0.47419500 0.01149500 0.58679700 1.0 O O68 1 0.19406900 0.19406900 0.63993200 1.0 O O69 1 0.47317900 0.47317900 0.57979200 1.0 O O70 1 0.19275800 0.65613300 0.63271800 1.0 O O71 1 0.01149500 0.47419500 0.58679700 1.0 O O72 1 0.99720700 0.52528900 0.74461700 1.0 O O73 1 0.80943000 0.33458800 0.69741300 1.0 O O74 1 0.52593500 0.52593500 0.75261600 1.0 O O75 1 0.80862600 0.80862600 0.68955700 1.0 O O76 1 0.52528900 0.99720700 0.74461700 1.0 O O77 1 0.33458800 0.80943000 0.69741300 1.0 O O78 1 0.33546900 0.86436100 0.85473900 1.0 O O79 1 0.14049800 0.66550200 0.80973700 1.0 O O80 1 0.86561600 0.86561600 0.86577300 1.0 O O81 1 0.13978700 0.13978700 0.80073200 1.0 O O82 1 0.86436100 0.33546900 0.85473900 1.0 O O83 1 0.66550200 0.14049800 0.80973700 1.0 O O84 1 0.71015000 0.17844900 0.97241300 1.0 O O85 1 0.47389000 0.97070200 0.92200600 1.0 O O86 1 0.17733100 0.17733100 0.98293300 1.0 O O87 1 0.47389200 0.47389200 0.90849500 1.0 O O88 1 0.17844900 0.71015000 0.97241300 1.0 O O89 1 0.97070200 0.47389000 0.92200600 1.0