# generated using pymatgen data_K18Na46Tl31 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 11.39128397 _cell_length_b 11.39128397 _cell_length_c 30.46779735 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 119.99955148 _symmetry_Int_Tables_number 1 _chemical_formula_structural K18Na46Tl31 _chemical_formula_sum 'K18 Na46 Tl31' _cell_volume 3423.88374317 _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 K K0 1 0.86816389 0.73633004 0.43994637 1.0 K K1 1 0.86817211 0.13182789 0.43994320 1.0 K K2 1 0.26366996 0.13183611 0.43994637 1.0 K K3 1 0.13230855 0.26461133 0.56038289 1.0 K K4 1 0.13229888 0.86770112 0.56038129 1.0 K K5 1 0.73538867 0.86769145 0.56038289 1.0 K K6 1 0.13230855 0.26461133 0.93961711 1.0 K K7 1 0.13229888 0.86770112 0.93961871 1.0 K K8 1 0.73538867 0.86769145 0.93961711 1.0 K K9 1 0.86816389 0.73633004 0.06005363 1.0 K K10 1 0.86817211 0.13182789 0.06005680 1.0 K K11 1 0.26366996 0.13183611 0.06005363 1.0 K K12 1 0.54173665 0.08346653 0.75000000 1.0 K K13 1 0.54172752 0.45827248 0.75000000 1.0 K K14 1 0.91653347 0.45826335 0.75000000 1.0 K K15 1 0.45804192 0.91609407 0.25000000 1.0 K K16 1 0.45805218 0.54194782 0.25000000 1.0 K K17 1 0.08390593 0.54195808 0.25000000 1.0 Na Na18 1 0.83274886 0.66549503 0.84633586 1.0 Na Na19 1 0.83275001 0.16724999 0.84633362 1.0 Na Na20 1 0.33450497 0.16725114 0.84633586 1.0 Na Na21 1 0.16695369 0.33391041 0.15381696 1.0 Na Na22 1 0.16695034 0.83304966 0.15381896 1.0 Na Na23 1 0.66608959 0.83304631 0.15381696 1.0 Na Na24 1 0.16695369 0.33391041 0.34618304 1.0 Na Na25 1 0.16695034 0.83304966 0.34618104 1.0 Na Na26 1 0.66608959 0.83304631 0.34618304 1.0 Na Na27 1 0.83274886 0.66549503 0.65366414 1.0 Na Na28 1 0.83275001 0.16724999 0.65366638 1.0 Na Na29 1 0.33450497 0.16725114 0.65366414 1.0 Na Na30 1 0.66668614 0.33331386 0.46108640 1.0 Na Na31 1 0.33330879 0.66669121 0.53903046 1.0 Na Na32 1 0.33330879 0.66669121 0.96096954 1.0 Na Na33 1 0.66668614 0.33331386 0.03891360 1.0 Na Na34 1 0.82204176 0.64408284 0.19086183 1.0 Na Na35 1 0.82204940 0.17795060 0.19086191 1.0 Na Na36 1 0.35591716 0.17795824 0.19086183 1.0 Na Na37 1 0.17869322 0.35738973 0.81001311 1.0 Na Na38 1 0.17869033 0.82130967 0.81001202 1.0 Na Na39 1 0.64261027 0.82130678 0.81001311 1.0 Na Na40 1 0.17869322 0.35738973 0.68998689 1.0 Na Na41 1 0.17869033 0.82130967 0.68998798 1.0 Na Na42 1 0.64261027 0.82130678 0.68998689 1.0 Na Na43 1 0.82204176 0.64408284 0.30913817 1.0 Na Na44 1 0.82204940 0.17795060 0.30913809 1.0 Na Na45 1 0.35591716 0.17795824 0.30913817 1.0 Na Na46 1 0.49998728 -0.00001968 0.50010349 1.0 Na Na47 1 0.49998962 0.50001038 0.50010561 1.0 Na Na48 1 0.00001968 0.50001272 0.50010349 1.0 Na Na49 1 0.49998728 -0.00001968 0.99989651 1.0 Na Na50 1 0.49998962 0.50001038 0.99989439 1.0 Na Na51 1 0.00001968 0.50001272 0.99989651 1.0 Na Na52 1 0.49577895 0.99156435 0.61650436 1.0 Na Na53 1 0.49579373 0.50420627 0.61650397 1.0 Na Na54 1 0.00843565 0.50422105 0.61650436 1.0 Na Na55 1 0.50368914 0.00737381 0.38361370 1.0 Na Na56 1 0.50368714 0.49631286 0.38361548 1.0 Na Na57 1 0.99262619 0.49631086 0.38361370 1.0 Na Na58 1 0.50368914 0.00737381 0.11638630 1.0 Na Na59 1 0.50368714 0.49631286 0.11638452 1.0 Na Na60 1 0.99262619 0.49631086 0.11638630 1.0 Na Na61 1 0.49577895 0.99156435 0.88349564 1.0 Na Na62 1 0.49579373 0.50420627 0.88349603 1.0 Na Na63 1 0.00843565 0.50422105 0.88349564 1.0 Tl Tl64 1 0.66668055 0.33331945 0.64324263 1.0 Tl Tl65 1 0.33332347 0.66667653 0.35554292 1.0 Tl Tl66 1 0.33332347 0.66667653 0.14445708 1.0 Tl Tl67 1 0.66668055 0.33331945 0.85675737 1.0 Tl Tl68 1 0.90166898 0.80333915 0.75000000 1.0 Tl Tl69 1 0.90167117 0.09832883 0.75000000 1.0 Tl Tl70 1 0.19666085 0.09833102 0.75000000 1.0 Tl Tl71 1 0.09770599 0.19541326 0.25000000 1.0 Tl Tl72 1 0.09770578 0.90229422 0.25000000 1.0 Tl Tl73 1 0.80458674 0.90229401 0.25000000 1.0 Tl Tl74 1 0.23465722 0.46931079 0.05516804 1.0 Tl Tl75 1 0.23465064 0.76534936 0.05516721 1.0 Tl Tl76 1 0.53068921 0.76534278 0.05516804 1.0 Tl Tl77 1 0.76561924 0.53124309 0.94580296 1.0 Tl Tl78 1 0.76562553 0.23437447 0.94580400 1.0 Tl Tl79 1 0.46875691 0.23438076 0.94580296 1.0 Tl Tl80 1 0.76561924 0.53124309 0.55419704 1.0 Tl Tl81 1 0.76562553 0.23437447 0.55419600 1.0 Tl Tl82 1 0.46875691 0.23438076 0.55419704 1.0 Tl Tl83 1 0.23465722 0.46931079 0.44483196 1.0 Tl Tl84 1 0.23465064 0.76534936 0.44483279 1.0 Tl Tl85 1 0.53068921 0.76534278 0.44483196 1.0 Tl Tl86 1 0.00000019 0.99999981 0.83869891 1.0 Tl Tl87 1 0.99999967 0.00000033 0.16097814 1.0 Tl Tl88 1 0.99999967 0.00000033 0.33902186 1.0 Tl Tl89 1 0.00000019 0.99999981 0.66130109 1.0 Tl Tl90 1 0.66667996 0.33332004 0.35229118 1.0 Tl Tl91 1 0.33332280 0.66667720 0.64773696 1.0 Tl Tl92 1 0.33332280 0.66667720 0.85226304 1.0 Tl Tl93 1 0.66667996 0.33332004 0.14770882 1.0 Tl Tl94 1 0.66668407 0.33331593 0.25000000 1.0