# generated using pymatgen data_Pr11Hg45 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 15.87416681 _cell_length_b 15.87416681 _cell_length_c 15.87416681 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Pr11Hg45 _chemical_formula_sum 'Pr22 Hg90' _cell_volume 2828.51067111 _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 0.00000000 0.00000000 0.00000000 1.0 Pr Pr1 1 0.01597700 0.32902700 0.63901900 1.0 Pr Pr2 1 0.01597700 0.01597700 0.63901900 1.0 Pr Pr3 1 0.32902700 0.01597700 0.63901900 1.0 Pr Pr4 1 0.01597700 0.63901900 0.32902700 1.0 Pr Pr5 1 0.32902700 0.63901900 0.01597700 1.0 Pr Pr6 1 0.01597700 0.63901900 0.01597700 1.0 Pr Pr7 1 0.63901900 0.01597700 0.01597700 1.0 Pr Pr8 1 0.63901900 0.32902700 0.01597700 1.0 Pr Pr9 1 0.63901900 0.01597700 0.32902700 1.0 Pr Pr10 1 0.32902700 0.01597700 0.01597700 1.0 Pr Pr11 1 0.01597700 0.01597700 0.32902700 1.0 Pr Pr12 1 0.01597700 0.32902700 0.01597700 1.0 Pr Pr13 1 0.25000000 0.25000000 0.25000000 1.0 Pr Pr14 1 0.40577600 0.40577600 0.78267100 1.0 Pr Pr15 1 0.40577600 0.78267100 0.40577600 1.0 Pr Pr16 1 0.78267100 0.40577600 0.40577600 1.0 Pr Pr17 1 0.40577600 0.40577600 0.40577600 1.0 Pr Pr18 1 0.66161600 0.66161600 0.01515100 1.0 Pr Pr19 1 0.66161600 0.01515100 0.66161600 1.0 Pr Pr20 1 0.01515100 0.66161600 0.66161600 1.0 Pr Pr21 1 0.66161600 0.66161600 0.66161600 1.0 Hg Hg22 1 0.08290000 0.08290000 0.75130100 1.0 Hg Hg23 1 0.08290000 0.75130100 0.08290000 1.0 Hg Hg24 1 0.75130100 0.08290000 0.08290000 1.0 Hg Hg25 1 0.08290000 0.08290000 0.08290000 1.0 Hg Hg26 1 0.91457700 0.91457700 0.25626800 1.0 Hg Hg27 1 0.91457700 0.25626800 0.91457700 1.0 Hg Hg28 1 0.25626800 0.91457700 0.91457700 1.0 Hg Hg29 1 0.91457700 0.91457700 0.91457700 1.0 Hg Hg30 1 0.15361700 0.15361700 0.84638300 1.0 Hg Hg31 1 0.84638300 0.15361700 0.84638300 1.0 Hg Hg32 1 0.15361700 0.84638300 0.84638300 1.0 Hg Hg33 1 0.84638300 0.84638300 0.15361700 1.0 Hg Hg34 1 0.15361700 0.84638300 0.15361700 1.0 Hg Hg35 1 0.84638300 0.15361700 0.15361700 1.0 Hg Hg36 1 0.39176100 0.19974600 0.01673200 1.0 Hg Hg37 1 0.39176100 0.39176100 0.01673200 1.0 Hg Hg38 1 0.19974600 0.39176100 0.01673200 1.0 Hg Hg39 1 0.39176100 0.01673200 0.19974600 1.0 Hg Hg40 1 0.19974600 0.01673200 0.39176100 1.0 Hg Hg41 1 0.39176100 0.01673200 0.39176100 1.0 Hg Hg42 1 0.01673200 0.39176100 0.39176100 1.0 Hg Hg43 1 0.01673200 0.19974600 0.39176100 1.0 Hg Hg44 1 0.01673200 0.39176100 0.19974600 1.0 Hg Hg45 1 0.19974600 0.39176100 0.39176100 1.0 Hg Hg46 1 0.39176100 0.39176100 0.19974600 1.0 Hg Hg47 1 0.39176100 0.19974600 0.39176100 1.0 Hg Hg48 1 0.16248100 0.16248100 0.51255600 1.0 Hg Hg49 1 0.16248100 0.51255600 0.16248100 1.0 Hg Hg50 1 0.51255600 0.16248100 0.16248100 1.0 Hg Hg51 1 0.16248100 0.16248100 0.16248100 1.0 Hg Hg52 1 0.25836800 0.61517100 0.86809400 1.0 Hg Hg53 1 0.25836800 0.25836800 0.86809400 1.0 Hg Hg54 1 0.61517100 0.25836800 0.86809400 1.0 Hg Hg55 1 0.25836800 0.86809400 0.61517100 1.0 Hg Hg56 1 0.61517100 0.86809400 0.25836800 1.0 Hg Hg57 1 0.25836800 0.86809400 0.25836800 1.0 Hg Hg58 1 0.86809400 0.25836800 0.25836800 1.0 Hg Hg59 1 0.86809400 0.61517100 0.25836800 1.0 Hg Hg60 1 0.86809400 0.25836800 0.61517100 1.0 Hg Hg61 1 0.61517100 0.25836800 0.25836800 1.0 Hg Hg62 1 0.25836800 0.25836800 0.61517100 1.0 Hg Hg63 1 0.25836800 0.61517100 0.25836800 1.0 Hg Hg64 1 0.50000000 0.50000000 0.50000000 1.0 Hg Hg65 1 0.64204600 0.44976600 0.26614200 1.0 Hg Hg66 1 0.64204600 0.64204600 0.26614200 1.0 Hg Hg67 1 0.44976600 0.64204600 0.26614200 1.0 Hg Hg68 1 0.64204600 0.26614200 0.44976600 1.0 Hg Hg69 1 0.44976600 0.26614200 0.64204600 1.0 Hg Hg70 1 0.64204600 0.26614200 0.64204600 1.0 Hg Hg71 1 0.26614200 0.64204600 0.64204600 1.0 Hg Hg72 1 0.26614200 0.44976600 0.64204600 1.0 Hg Hg73 1 0.26614200 0.64204600 0.44976600 1.0 Hg Hg74 1 0.44976600 0.64204600 0.64204600 1.0 Hg Hg75 1 0.64204600 0.64204600 0.44976600 1.0 Hg Hg76 1 0.64204600 0.44976600 0.64204600 1.0 Hg Hg77 1 0.51176700 0.83725400 0.13921300 1.0 Hg Hg78 1 0.51176700 0.51176700 0.13921300 1.0 Hg Hg79 1 0.83725400 0.51176700 0.13921300 1.0 Hg Hg80 1 0.51176700 0.13921300 0.83725400 1.0 Hg Hg81 1 0.83725400 0.13921300 0.51176700 1.0 Hg Hg82 1 0.51176700 0.13921300 0.51176700 1.0 Hg Hg83 1 0.13921300 0.51176700 0.51176700 1.0 Hg Hg84 1 0.13921300 0.83725400 0.51176700 1.0 Hg Hg85 1 0.13921300 0.51176700 0.83725400 1.0 Hg Hg86 1 0.83725400 0.51176700 0.51176700 1.0 Hg Hg87 1 0.51176700 0.51176700 0.83725400 1.0 Hg Hg88 1 0.51176700 0.83725400 0.51176700 1.0 Hg Hg89 1 0.75000000 0.75000000 0.75000000 1.0 Hg Hg90 1 0.82786100 0.82786100 0.51641700 1.0 Hg Hg91 1 0.82786100 0.51641700 0.82786100 1.0 Hg Hg92 1 0.51641700 0.82786100 0.82786100 1.0 Hg Hg93 1 0.82786100 0.82786100 0.82786100 1.0 Hg Hg94 1 0.91151200 0.91151200 0.58848800 1.0 Hg Hg95 1 0.58848800 0.91151200 0.58848800 1.0 Hg Hg96 1 0.91151200 0.58848800 0.58848800 1.0 Hg Hg97 1 0.58848800 0.58848800 0.91151200 1.0 Hg Hg98 1 0.91151200 0.58848800 0.91151200 1.0 Hg Hg99 1 0.58848800 0.91151200 0.91151200 1.0 Hg Hg100 1 0.76460300 0.06615100 0.40464400 1.0 Hg Hg101 1 0.76460300 0.76460300 0.40464400 1.0 Hg Hg102 1 0.06615100 0.76460300 0.40464400 1.0 Hg Hg103 1 0.76460300 0.40464400 0.06615100 1.0 Hg Hg104 1 0.06615100 0.40464400 0.76460300 1.0 Hg Hg105 1 0.76460300 0.40464400 0.76460300 1.0 Hg Hg106 1 0.40464400 0.76460300 0.76460300 1.0 Hg Hg107 1 0.40464400 0.06615100 0.76460300 1.0 Hg Hg108 1 0.40464400 0.76460300 0.06615100 1.0 Hg Hg109 1 0.06615100 0.76460300 0.76460300 1.0 Hg Hg110 1 0.76460300 0.76460300 0.06615100 1.0 Hg Hg111 1 0.76460300 0.06615100 0.76460300 1.0