# generated using pymatgen data_Pr13Cd58 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 16.02919713 _cell_length_b 16.02919703 _cell_length_c 15.69410234 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000018 _symmetry_Int_Tables_number 1 _chemical_formula_structural Pr13Cd58 _chemical_formula_sum 'Pr26 Cd116' _cell_volume 3492.13197764 _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 Pr Pr0 1 0.41097733 0.20548867 0.55212687 1.0 Pr Pr1 1 0.87186379 0.74372757 0.25000000 1.0 Pr Pr2 1 0.20548867 0.41097733 0.05212687 1.0 Pr Pr3 1 0.08562369 0.54281184 0.75000000 1.0 Pr Pr4 1 0.79451133 0.58902267 0.94787313 1.0 Pr Pr5 1 0.79451133 0.20548867 0.55212687 1.0 Pr Pr6 1 0.91437631 0.45718816 0.25000000 1.0 Pr Pr7 1 0.79451133 0.20548867 0.94787313 1.0 Pr Pr8 1 0.79451133 0.58902267 0.55212687 1.0 Pr Pr9 1 0.45718816 0.91437631 0.75000000 1.0 Pr Pr10 1 0.12813621 0.87186379 0.75000000 1.0 Pr Pr11 1 0.87186379 0.12813621 0.25000000 1.0 Pr Pr12 1 0.58902267 0.79451133 0.05212687 1.0 Pr Pr13 1 0.58902267 0.79451133 0.44787313 1.0 Pr Pr14 1 0.20548867 0.79451133 0.44787313 1.0 Pr Pr15 1 0.00000000 0.00000000 0.00000000 1.0 Pr Pr16 1 0.45718816 0.54281184 0.75000000 1.0 Pr Pr17 1 0.54281184 0.08562369 0.25000000 1.0 Pr Pr18 1 0.12813621 0.25627243 0.75000000 1.0 Pr Pr19 1 0.74372757 0.87186379 0.75000000 1.0 Pr Pr20 1 0.20548867 0.41097733 0.44787313 1.0 Pr Pr21 1 0.41097733 0.20548867 0.94787313 1.0 Pr Pr22 1 0.00000000 0.00000000 0.50000000 1.0 Pr Pr23 1 0.25627243 0.12813621 0.25000000 1.0 Pr Pr24 1 0.20548867 0.79451133 0.05212687 1.0 Pr Pr25 1 0.54281184 0.45718816 0.25000000 1.0 Cd Cd26 1 0.90682263 0.09317737 0.65588124 1.0 Cd Cd27 1 0.00000000 0.19928348 0.00000000 1.0 Cd Cd28 1 0.63487662 0.96402056 0.60266228 1.0 Cd Cd29 1 0.36512338 0.32914394 0.39733772 1.0 Cd Cd30 1 0.67085606 0.63487662 0.10266228 1.0 Cd Cd31 1 0.60033147 0.39966853 0.05231455 1.0 Cd Cd32 1 0.63487662 0.67085606 0.89733772 1.0 Cd Cd33 1 0.96402056 0.63487662 0.10266228 1.0 Cd Cd34 1 0.20066294 0.60033147 0.94768545 1.0 Cd Cd35 1 0.09317737 0.90682263 0.34411876 1.0 Cd Cd36 1 0.56175601 0.12351203 0.64466011 1.0 Cd Cd37 1 0.81364526 0.90682263 0.34411876 1.0 Cd Cd38 1 0.73217592 0.26782408 0.75000000 1.0 Cd Cd39 1 0.43824399 0.87648797 0.35533989 1.0 Cd Cd40 1 0.32914394 0.36512338 0.89733772 1.0 Cd Cd41 1 0.03597944 0.67085606 0.89733772 1.0 Cd Cd42 1 0.53003187 0.76501593 0.84153662 1.0 Cd Cd43 1 0.80071652 0.80071652 0.00000000 1.0 Cd Cd44 1 0.36512338 0.03597944 0.39733772 1.0 Cd Cd45 1 0.00000000 0.19928348 0.50000000 1.0 Cd Cd46 1 0.91767013 0.63990136 0.75000000 1.0 Cd Cd47 1 0.19928348 0.19928348 0.50000000 1.0 Cd Cd48 1 0.67085606 0.03597944 0.10266228 1.0 Cd Cd49 1 0.60033147 0.39966853 0.44768545 1.0 Cd Cd50 1 0.76501593 0.53003187 0.34153662 1.0 Cd Cd51 1 0.76501593 0.53003187 0.15846338 1.0 Cd Cd52 1 0.96402056 0.32914394 0.10266228 1.0 Cd Cd53 1 0.66666700 0.33333300 0.59481930 1.0 Cd Cd54 1 0.27776878 0.91767013 0.25000000 1.0 Cd Cd55 1 0.46996813 0.23498407 0.34153662 1.0 Cd Cd56 1 0.03597944 0.36512338 0.60266228 1.0 Cd Cd57 1 0.33333300 0.66666700 0.75000000 1.0 Cd Cd58 1 0.72223122 0.08232987 0.75000000 1.0 Cd Cd59 1 0.03597944 0.36512338 0.89733772 1.0 Cd Cd60 1 0.80071652 0.00000000 0.50000000 1.0 Cd Cd61 1 0.60033147 0.20066294 0.44768545 1.0 Cd Cd62 1 0.67085606 0.03597944 0.39733772 1.0 Cd Cd63 1 0.36009864 0.08232987 0.75000000 1.0 Cd Cd64 1 0.91767013 0.27776878 0.75000000 1.0 Cd Cd65 1 0.00000000 0.80071652 0.00000000 1.0 Cd Cd66 1 0.43824399 0.56175601 0.14466011 1.0 Cd Cd67 1 0.12351203 0.56175601 0.35533989 1.0 Cd Cd68 1 0.50000000 0.00000000 0.50000000 1.0 Cd Cd69 1 0.90682263 0.81364526 0.84411876 1.0 Cd Cd70 1 0.09317737 0.18635474 0.15588124 1.0 Cd Cd71 1 0.03597944 0.67085606 0.60266228 1.0 Cd Cd72 1 0.32914394 0.36512338 0.60266228 1.0 Cd Cd73 1 0.56175601 0.12351203 0.85533989 1.0 Cd Cd74 1 0.20066294 0.60033147 0.55231455 1.0 Cd Cd75 1 0.63487662 0.67085606 0.60266228 1.0 Cd Cd76 1 0.43824399 0.56175601 0.35533989 1.0 Cd Cd77 1 0.00000000 0.00000000 0.25000000 1.0 Cd Cd78 1 0.60033147 0.20066294 0.05231455 1.0 Cd Cd79 1 0.79933706 0.39966853 0.44768545 1.0 Cd Cd80 1 0.73217592 0.46435184 0.75000000 1.0 Cd Cd81 1 0.39966853 0.79933706 0.94768545 1.0 Cd Cd82 1 0.66666700 0.33333300 0.90518070 1.0 Cd Cd83 1 0.23498407 0.46996813 0.84153662 1.0 Cd Cd84 1 0.76501593 0.23498407 0.15846338 1.0 Cd Cd85 1 0.27776878 0.36009864 0.25000000 1.0 Cd Cd86 1 0.39966853 0.60033147 0.55231455 1.0 Cd Cd87 1 0.36512338 0.03597944 0.10266228 1.0 Cd Cd88 1 0.76501593 0.23498407 0.34153662 1.0 Cd Cd89 1 0.81364526 0.90682263 0.15588124 1.0 Cd Cd90 1 0.32914394 0.96402056 0.89733772 1.0 Cd Cd91 1 0.87648797 0.43824399 0.85533989 1.0 Cd Cd92 1 0.90682263 0.81364526 0.65588124 1.0 Cd Cd93 1 0.12351203 0.56175601 0.14466011 1.0 Cd Cd94 1 0.96402056 0.32914394 0.39733772 1.0 Cd Cd95 1 0.63990136 0.72223122 0.25000000 1.0 Cd Cd96 1 0.56175601 0.43824399 0.85533989 1.0 Cd Cd97 1 0.46996813 0.23498407 0.15846338 1.0 Cd Cd98 1 0.80071652 0.80071652 0.50000000 1.0 Cd Cd99 1 0.00000000 0.00000000 0.75000000 1.0 Cd Cd100 1 0.18635474 0.09317737 0.65588124 1.0 Cd Cd101 1 0.19928348 0.19928348 0.00000000 1.0 Cd Cd102 1 0.19928348 0.00000000 0.50000000 1.0 Cd Cd103 1 0.08232987 0.36009864 0.25000000 1.0 Cd Cd104 1 0.67085606 0.63487662 0.39733772 1.0 Cd Cd105 1 0.53003187 0.76501593 0.65846338 1.0 Cd Cd106 1 0.79933706 0.39966853 0.05231455 1.0 Cd Cd107 1 0.36512338 0.32914394 0.10266228 1.0 Cd Cd108 1 0.23498407 0.76501593 0.84153662 1.0 Cd Cd109 1 0.66666700 0.33333300 0.25000000 1.0 Cd Cd110 1 0.43824399 0.87648797 0.14466011 1.0 Cd Cd111 1 0.50000000 0.50000000 0.00000000 1.0 Cd Cd112 1 0.00000000 0.50000000 0.50000000 1.0 Cd Cd113 1 0.23498407 0.76501593 0.65846338 1.0 Cd Cd114 1 0.33333300 0.66666700 0.40518070 1.0 Cd Cd115 1 0.19928348 0.00000000 0.00000000 1.0 Cd Cd116 1 0.08232987 0.72223122 0.25000000 1.0 Cd Cd117 1 0.00000000 0.80071652 0.50000000 1.0 Cd Cd118 1 0.63487662 0.96402056 0.89733772 1.0 Cd Cd119 1 0.50000000 0.50000000 0.50000000 1.0 Cd Cd120 1 0.18635474 0.09317737 0.84411876 1.0 Cd Cd121 1 0.53564816 0.26782408 0.75000000 1.0 Cd Cd122 1 0.09317737 0.90682263 0.15588124 1.0 Cd Cd123 1 0.90682263 0.09317737 0.84411876 1.0 Cd Cd124 1 0.56175601 0.43824399 0.64466011 1.0 Cd Cd125 1 0.36009864 0.27776878 0.75000000 1.0 Cd Cd126 1 0.26782408 0.73217592 0.25000000 1.0 Cd Cd127 1 0.96402056 0.63487662 0.39733772 1.0 Cd Cd128 1 0.33333300 0.66666700 0.09481930 1.0 Cd Cd129 1 0.26782408 0.53564816 0.25000000 1.0 Cd Cd130 1 0.80071652 0.00000000 0.00000000 1.0 Cd Cd131 1 0.63990136 0.91767013 0.25000000 1.0 Cd Cd132 1 0.50000000 0.00000000 0.00000000 1.0 Cd Cd133 1 0.87648797 0.43824399 0.64466011 1.0 Cd Cd134 1 0.32914394 0.96402056 0.60266228 1.0 Cd Cd135 1 0.00000000 0.50000000 0.00000000 1.0 Cd Cd136 1 0.09317737 0.18635474 0.34411876 1.0 Cd Cd137 1 0.39966853 0.60033147 0.94768545 1.0 Cd Cd138 1 0.23498407 0.46996813 0.65846338 1.0 Cd Cd139 1 0.72223122 0.63990136 0.75000000 1.0 Cd Cd140 1 0.39966853 0.79933706 0.55231455 1.0 Cd Cd141 1 0.46435184 0.73217592 0.25000000 1.0