# generated using pymatgen data_K5Hg7 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 8.24438869 _cell_length_b 10.13946352 _cell_length_c 19.45083483 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural K5Hg7 _chemical_formula_sum 'K20 Hg28' _cell_volume 1625.96683075 _cell_formula_units_Z 4 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 0.25000000 0.10267465 0.58811901 1.0 K K1 1 0.75000000 0.89732535 0.41188099 1.0 K K2 1 0.75000000 0.10267465 0.91188099 1.0 K K3 1 0.25000000 0.89732535 0.08811901 1.0 K K4 1 0.25000000 0.99104536 0.89002147 1.0 K K5 1 0.75000000 0.00895464 0.10997853 1.0 K K6 1 0.75000000 0.99104536 0.60997853 1.0 K K7 1 0.25000000 0.00895464 0.39002147 1.0 K K8 1 0.25000000 0.81481503 0.70953360 1.0 K K9 1 0.75000000 0.18518497 0.29046640 1.0 K K10 1 0.75000000 0.81481503 0.79046640 1.0 K K11 1 0.25000000 0.18518497 0.20953460 1.0 K K12 1 0.25000000 0.47725336 0.51813392 1.0 K K13 1 0.75000000 0.52274664 0.48186608 1.0 K K14 1 0.75000000 0.47725336 0.98186608 1.0 K K15 1 0.25000000 0.52274664 0.01813392 1.0 K K16 1 0.25000000 0.42928076 0.72729647 1.0 K K17 1 0.75000000 0.57071924 0.27270353 1.0 K K18 1 0.75000000 0.42928076 0.77270353 1.0 K K19 1 0.25000000 0.57071924 0.22729647 1.0 Hg Hg20 1 0.56807724 0.37182888 0.14188525 1.0 Hg Hg21 1 0.06807724 0.62817112 0.85811475 1.0 Hg Hg22 1 0.43192276 0.37182888 0.35811475 1.0 Hg Hg23 1 0.93192276 0.62817112 0.64188525 1.0 Hg Hg24 1 0.43192276 0.62817112 0.85811475 1.0 Hg Hg25 1 0.93192276 0.37182888 0.14188525 1.0 Hg Hg26 1 0.56807724 0.62817112 0.64188525 1.0 Hg Hg27 1 0.06807724 0.37182888 0.35811475 1.0 Hg Hg28 1 0.06847869 0.68080205 0.38070144 1.0 Hg Hg29 1 0.56847869 0.31919795 0.61929856 1.0 Hg Hg30 1 0.93152131 0.68080205 0.11929856 1.0 Hg Hg31 1 0.43152131 0.31919795 0.88070144 1.0 Hg Hg32 1 0.93152131 0.31919795 0.61929856 1.0 Hg Hg33 1 0.43152131 0.68080205 0.38070144 1.0 Hg Hg34 1 0.06847869 0.31919795 0.88070144 1.0 Hg Hg35 1 0.56847869 0.68080205 0.11929856 1.0 Hg Hg36 1 0.56623122 0.19894172 0.47192339 1.0 Hg Hg37 1 0.06623122 0.80105828 0.52807661 1.0 Hg Hg38 1 0.43376878 0.19894172 0.02807661 1.0 Hg Hg39 1 0.93376878 0.80105828 0.97192339 1.0 Hg Hg40 1 0.43376878 0.80105828 0.52807661 1.0 Hg Hg41 1 0.93376878 0.19894172 0.47192339 1.0 Hg Hg42 1 0.56623122 0.80105828 0.97192339 1.0 Hg Hg43 1 0.06623122 0.19894172 0.02807661 1.0 Hg Hg44 1 0.50000000 0.87165284 0.25000000 1.0 Hg Hg45 1 0.00000000 0.12834716 0.75000000 1.0 Hg Hg46 1 0.50000000 0.12834716 0.75000000 1.0 Hg Hg47 1 0.00000000 0.87165284 0.25000000 1.0