# generated using pymatgen data_K4Sn20Hg3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 12.43859900 _cell_length_b 12.43859900 _cell_length_c 12.43859900 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural K4Sn20Hg3 _chemical_formula_sum 'K8 Sn40 Hg6' _cell_volume 1924.48442787 _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 0.00000000 0.00000000 0.00000000 1.0 K K1 1 0.50000000 0.50000000 0.50000000 1.0 K K2 1 0.25000000 0.00000000 0.50000000 1.0 K K3 1 0.75000000 0.00000000 0.50000000 1.0 K K4 1 0.50000000 0.25000000 0.00000000 1.0 K K5 1 0.50000000 0.75000000 0.00000000 1.0 K K6 1 0.00000000 0.50000000 0.25000000 1.0 K K7 1 0.00000000 0.50000000 0.75000000 1.0 Sn Sn8 1 0.18277300 0.18277300 0.18277300 1.0 Sn Sn9 1 0.81722700 0.81722700 0.81722700 1.0 Sn Sn10 1 0.81722700 0.81722700 0.18277300 1.0 Sn Sn11 1 0.81722700 0.18277300 0.81722700 1.0 Sn Sn12 1 0.68277300 0.68277300 0.31722700 1.0 Sn Sn13 1 0.18277300 0.18277300 0.81722700 1.0 Sn Sn14 1 0.18277300 0.81722700 0.18277300 1.0 Sn Sn15 1 0.31722700 0.31722700 0.68277300 1.0 Sn Sn16 1 0.18277300 0.81722700 0.81722700 1.0 Sn Sn17 1 0.31722700 0.31722700 0.31722700 1.0 Sn Sn18 1 0.81722700 0.18277300 0.18277300 1.0 Sn Sn19 1 0.68277300 0.68277300 0.68277300 1.0 Sn Sn20 1 0.68277300 0.31722700 0.68277300 1.0 Sn Sn21 1 0.31722700 0.68277300 0.31722700 1.0 Sn Sn22 1 0.31722700 0.68277300 0.68277300 1.0 Sn Sn23 1 0.68277300 0.31722700 0.31722700 1.0 Sn Sn24 1 0.00000000 0.11667300 0.31230600 1.0 Sn Sn25 1 0.00000000 0.88332700 0.68769400 1.0 Sn Sn26 1 0.00000000 0.88332700 0.31230600 1.0 Sn Sn27 1 0.00000000 0.11667300 0.68769400 1.0 Sn Sn28 1 0.31230600 0.00000000 0.11667300 1.0 Sn Sn29 1 0.61667300 0.50000000 0.18769400 1.0 Sn Sn30 1 0.68769400 0.00000000 0.88332700 1.0 Sn Sn31 1 0.38332700 0.50000000 0.81230600 1.0 Sn Sn32 1 0.31230600 0.00000000 0.88332700 1.0 Sn Sn33 1 0.38332700 0.50000000 0.18769400 1.0 Sn Sn34 1 0.68769400 0.00000000 0.11667300 1.0 Sn Sn35 1 0.61667300 0.50000000 0.81230600 1.0 Sn Sn36 1 0.11667300 0.31230600 0.00000000 1.0 Sn Sn37 1 0.50000000 0.81230600 0.38332700 1.0 Sn Sn38 1 0.88332700 0.68769400 0.00000000 1.0 Sn Sn39 1 0.50000000 0.18769400 0.61667300 1.0 Sn Sn40 1 0.11667300 0.68769400 0.00000000 1.0 Sn Sn41 1 0.50000000 0.18769400 0.38332700 1.0 Sn Sn42 1 0.88332700 0.31230600 0.00000000 1.0 Sn Sn43 1 0.50000000 0.81230600 0.61667300 1.0 Sn Sn44 1 0.18769400 0.61667300 0.50000000 1.0 Sn Sn45 1 0.81230600 0.38332700 0.50000000 1.0 Sn Sn46 1 0.18769400 0.38332700 0.50000000 1.0 Sn Sn47 1 0.81230600 0.61667300 0.50000000 1.0 Hg Hg48 1 0.25000000 0.50000000 0.00000000 1.0 Hg Hg49 1 0.75000000 0.50000000 0.00000000 1.0 Hg Hg50 1 0.00000000 0.25000000 0.50000000 1.0 Hg Hg51 1 0.00000000 0.75000000 0.50000000 1.0 Hg Hg52 1 0.50000000 0.00000000 0.25000000 1.0 Hg Hg53 1 0.50000000 0.00000000 0.75000000 1.0