# generated using pymatgen data_K16Na9(Tl6Cd)3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 11.20017746 _cell_length_b 11.20048397 _cell_length_c 29.53507645 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00090662 _symmetry_Int_Tables_number 1 _chemical_formula_structural K16Na9(Tl6Cd)3 _chemical_formula_sum 'K32 Na18 Tl36 Cd6' _cell_volume 3208.68035948 _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 0.13125862 0.86874521 0.94141282 1.0 K K1 1 0.13125862 0.26251241 0.94141282 1.0 K K2 1 0.73749220 0.86874560 0.94141395 1.0 K K3 1 0.86874138 0.13125479 0.05858718 1.0 K K4 1 0.86874138 0.73748759 0.05858718 1.0 K K5 1 0.26250780 0.13125440 0.05858605 1.0 K K6 1 0.86874138 0.13125479 0.44141282 1.0 K K7 1 0.86874138 0.73748759 0.44141282 1.0 K K8 1 0.26250780 0.13125440 0.44141395 1.0 K K9 1 0.13125862 0.86874521 0.55858718 1.0 K K10 1 0.13125862 0.26251241 0.55858718 1.0 K K11 1 0.73749220 0.86874560 0.55858605 1.0 K K12 1 0.45449678 0.54550349 0.25000000 1.0 K K13 1 0.45449678 0.90899329 0.25000000 1.0 K K14 1 0.09101269 0.54550634 0.25000000 1.0 K K15 1 0.54550322 0.45449651 0.75000000 1.0 K K16 1 0.54550322 0.09100671 0.75000000 1.0 K K17 1 0.90898731 0.45449366 0.75000000 1.0 K K18 1 0.46515317 0.53486933 0.87551762 1.0 K K19 1 0.46515317 0.93028484 0.87551762 1.0 K K20 1 0.06970843 0.53485472 0.87551834 1.0 K K21 1 0.53484683 0.46513067 0.12448238 1.0 K K22 1 0.53484683 0.06971516 0.12448238 1.0 K K23 1 0.93029157 0.46514528 0.12448166 1.0 K K24 1 0.53484683 0.46513067 0.37551762 1.0 K K25 1 0.53484683 0.06971516 0.37551762 1.0 K K26 1 0.93029157 0.46514528 0.37551834 1.0 K K27 1 0.46515317 0.53486933 0.62448238 1.0 K K28 1 0.46515317 0.93028484 0.62448238 1.0 K K29 1 0.06970843 0.53485472 0.62448166 1.0 K K30 1 0.33332999 0.66666550 0.75000000 1.0 K K31 1 0.66667001 0.33333450 0.25000000 1.0 Na Na32 1 0.16624917 0.83374887 0.15320218 1.0 Na Na33 1 0.16624917 0.33250029 0.15320218 1.0 Na Na34 1 0.66749813 0.83374906 0.15320164 1.0 Na Na35 1 0.83375083 0.16625113 0.84679782 1.0 Na Na36 1 0.83375083 0.66749971 0.84679782 1.0 Na Na37 1 0.33250187 0.16625094 0.84679836 1.0 Na Na38 1 0.83375083 0.16625113 0.65320218 1.0 Na Na39 1 0.83375083 0.66749971 0.65320218 1.0 Na Na40 1 0.33250187 0.16625094 0.65320164 1.0 Na Na41 1 0.16624917 0.83374887 0.34679782 1.0 Na Na42 1 0.16624917 0.33250029 0.34679782 1.0 Na Na43 1 0.66749813 0.83374906 0.34679836 1.0 Na Na44 1 0.50000000 0.50000000 -0.00000000 1.0 Na Na45 1 0.50000000 0.00000000 -0.00000000 1.0 Na Na46 1 0.00000000 0.50000000 -0.00000000 1.0 Na Na47 1 0.50000000 0.50000000 0.50000000 1.0 Na Na48 1 0.50000000 0.00000000 0.50000000 1.0 Na Na49 1 0.00000000 0.50000000 0.50000000 1.0 Tl Tl50 1 0.23404012 0.76596126 0.05485817 1.0 Tl Tl51 1 0.23404012 0.46807786 0.05485817 1.0 Tl Tl52 1 0.53192123 0.76596011 0.05485967 1.0 Tl Tl53 1 0.76595988 0.23403874 0.94514183 1.0 Tl Tl54 1 0.76595988 0.53192214 0.94514183 1.0 Tl Tl55 1 0.46807877 0.23403989 0.94514033 1.0 Tl Tl56 1 0.76595988 0.23403874 0.55485817 1.0 Tl Tl57 1 0.76595988 0.53192214 0.55485817 1.0 Tl Tl58 1 0.46807877 0.23403989 0.55485967 1.0 Tl Tl59 1 0.23404012 0.76596126 0.44514183 1.0 Tl Tl60 1 0.23404012 0.46807786 0.44514183 1.0 Tl Tl61 1 0.53192123 0.76596011 0.44514033 1.0 Tl Tl62 1 0.33333413 0.66666756 0.96984487 1.0 Tl Tl63 1 0.66666587 0.33333244 0.03015513 1.0 Tl Tl64 1 0.66666587 0.33333244 0.46984487 1.0 Tl Tl65 1 0.33333413 0.66666756 0.53015513 1.0 Tl Tl66 1 0.33331365 0.66665732 0.14033844 1.0 Tl Tl67 1 0.66668635 0.33334268 0.85966156 1.0 Tl Tl68 1 0.66668635 0.33334268 0.64033844 1.0 Tl Tl69 1 0.33331365 0.66665732 0.35966156 1.0 Tl Tl70 1 0.00000206 0.00000103 0.84260865 1.0 Tl Tl71 1 -0.00000206 -0.00000103 0.15739135 1.0 Tl Tl72 1 -0.00000206 -0.00000103 0.34260865 1.0 Tl Tl73 1 0.00000206 0.00000103 0.65739135 1.0 Tl Tl74 1 0.15812595 0.84187783 0.80270169 1.0 Tl Tl75 1 0.15812595 0.31624712 0.80270169 1.0 Tl Tl76 1 0.68372655 0.84186277 0.80270862 1.0 Tl Tl77 1 0.84187405 0.15812217 0.19729831 1.0 Tl Tl78 1 0.84187405 0.68375288 0.19729831 1.0 Tl Tl79 1 0.31627345 0.15813723 0.19729138 1.0 Tl Tl80 1 0.84187405 0.15812217 0.30270169 1.0 Tl Tl81 1 0.84187405 0.68375288 0.30270169 1.0 Tl Tl82 1 0.31627345 0.15813723 0.30270862 1.0 Tl Tl83 1 0.15812595 0.84187783 0.69729831 1.0 Tl Tl84 1 0.15812595 0.31624712 0.69729831 1.0 Tl Tl85 1 0.68372655 0.84186277 0.69729138 1.0 Cd Cd86 1 0.09857780 0.90146560 0.25000000 1.0 Cd Cd87 1 0.09857780 0.19711220 0.25000000 1.0 Cd Cd88 1 0.80291405 0.90145703 0.25000000 1.0 Cd Cd89 1 0.90142220 0.09853440 0.75000000 1.0 Cd Cd90 1 0.90142220 0.80288780 0.75000000 1.0 Cd Cd91 1 0.19708595 0.09854297 0.75000000 1.0