# generated using pymatgen data_K29NaHg48 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 17.40562700 _cell_length_b 17.40562700 _cell_length_c 17.40562700 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural K29NaHg48 _chemical_formula_sum 'K58 Na2 Hg96' _cell_volume 5273.13654455 _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 0.50000000 0.00000000 0.50000000 1.0 K K1 1 0.29549200 0.86758400 0.00000000 1.0 K K2 1 0.86758400 0.00000000 0.70450800 1.0 K K3 1 0.68742700 0.31257300 0.68742700 1.0 K K4 1 0.20450800 0.50000000 0.36758400 1.0 K K5 1 0.18742700 0.81257300 0.18742700 1.0 K K6 1 0.18742700 0.81257300 0.81257300 1.0 K K7 1 0.31257300 0.31257300 0.68742700 1.0 K K8 1 0.79549200 0.50000000 0.63241600 1.0 K K9 1 0.00000000 0.70450800 0.13241600 1.0 K K10 1 0.50000000 0.50000000 0.00000000 1.0 K K11 1 0.70450800 0.13241600 0.00000000 1.0 K K12 1 0.00000000 0.29549200 0.86758400 1.0 K K13 1 0.31257300 0.68742700 0.68742700 1.0 K K14 1 0.00000000 0.75000000 0.50000000 1.0 K K15 1 0.86758400 0.00000000 0.29549200 1.0 K K16 1 0.63241600 0.20450800 0.50000000 1.0 K K17 1 0.25000000 0.00000000 0.50000000 1.0 K K18 1 0.00000000 0.50000000 0.75000000 1.0 K K19 1 0.81257300 0.18742700 0.81257300 1.0 K K20 1 0.00000000 0.50000000 0.50000000 1.0 K K21 1 0.81257300 0.18742700 0.18742700 1.0 K K22 1 0.50000000 0.75000000 0.00000000 1.0 K K23 1 0.18742700 0.18742700 0.81257300 1.0 K K24 1 0.13241600 0.00000000 0.29549200 1.0 K K25 1 0.68742700 0.68742700 0.31257300 1.0 K K26 1 0.50000000 0.00000000 0.25000000 1.0 K K27 1 0.50000000 0.63241600 0.79549200 1.0 K K28 1 0.25000000 0.50000000 0.00000000 1.0 K K29 1 0.50000000 0.00000000 0.75000000 1.0 K K30 1 0.31257300 0.68742700 0.31257300 1.0 K K31 1 0.63241600 0.79549200 0.50000000 1.0 K K32 1 0.50000000 0.36758400 0.79549200 1.0 K K33 1 0.29549200 0.13241600 0.00000000 1.0 K K34 1 0.50000000 0.36758400 0.20450800 1.0 K K35 1 0.50000000 0.25000000 0.00000000 1.0 K K36 1 0.13241600 0.00000000 0.70450800 1.0 K K37 1 0.70450800 0.86758400 0.00000000 1.0 K K38 1 0.00000000 0.25000000 0.50000000 1.0 K K39 1 0.00000000 0.29549200 0.13241600 1.0 K K40 1 0.18742700 0.18742700 0.18742700 1.0 K K41 1 0.50000000 0.00000000 0.00000000 1.0 K K42 1 0.00000000 0.50000000 0.25000000 1.0 K K43 1 0.00000000 0.70450800 0.86758400 1.0 K K44 1 0.50000000 0.63241600 0.20450800 1.0 K K45 1 0.68742700 0.68742700 0.68742700 1.0 K K46 1 0.81257300 0.81257300 0.81257300 1.0 K K47 1 0.68742700 0.31257300 0.31257300 1.0 K K48 1 0.79549200 0.50000000 0.36758400 1.0 K K49 1 0.75000000 0.00000000 0.50000000 1.0 K K50 1 0.81257300 0.81257300 0.18742700 1.0 K K51 1 0.00000000 0.00000000 0.50000000 1.0 K K52 1 0.31257300 0.31257300 0.31257300 1.0 K K53 1 0.00000000 0.50000000 0.00000000 1.0 K K54 1 0.20450800 0.50000000 0.63241600 1.0 K K55 1 0.75000000 0.50000000 0.00000000 1.0 K K56 1 0.36758400 0.79549200 0.50000000 1.0 K K57 1 0.36758400 0.20450800 0.50000000 1.0 Na Na58 1 0.00000000 0.00000000 0.00000000 1.0 Na Na59 1 0.50000000 0.50000000 0.50000000 1.0 Hg Hg60 1 0.00000000 0.09162800 0.84196800 1.0 Hg Hg61 1 0.40366800 0.17277400 0.82854900 1.0 Hg Hg62 1 0.90366800 0.67145100 0.67277400 1.0 Hg Hg63 1 0.90366800 0.32854900 0.32722600 1.0 Hg Hg64 1 0.67277400 0.09633200 0.67145100 1.0 Hg Hg65 1 0.50000000 0.34196800 0.40837200 1.0 Hg Hg66 1 0.50000000 0.34196800 0.59162800 1.0 Hg Hg67 1 0.82722600 0.82854900 0.59633200 1.0 Hg Hg68 1 0.32722600 0.90366800 0.67145100 1.0 Hg Hg69 1 0.32854900 0.67277400 0.90366800 1.0 Hg Hg70 1 0.34196800 0.40837200 0.50000000 1.0 Hg Hg71 1 0.59633200 0.82722600 0.82854900 1.0 Hg Hg72 1 0.65803200 0.59162800 0.50000000 1.0 Hg Hg73 1 0.82854900 0.59633200 0.17277400 1.0 Hg Hg74 1 0.00000000 0.90837200 0.84196800 1.0 Hg Hg75 1 0.50000000 0.81504700 0.66433300 1.0 Hg Hg76 1 0.81504700 0.66433300 0.50000000 1.0 Hg Hg77 1 0.59633200 0.82722600 0.17145100 1.0 Hg Hg78 1 0.09633200 0.67145100 0.32722600 1.0 Hg Hg79 1 0.59633200 0.17277400 0.17145100 1.0 Hg Hg80 1 0.00000000 0.09162800 0.15803200 1.0 Hg Hg81 1 0.67145100 0.32722600 0.90366800 1.0 Hg Hg82 1 0.59633200 0.17277400 0.82854900 1.0 Hg Hg83 1 0.09633200 0.67145100 0.67277400 1.0 Hg Hg84 1 0.00000000 0.16433300 0.68495300 1.0 Hg Hg85 1 0.82854900 0.59633200 0.82722600 1.0 Hg Hg86 1 0.32722600 0.09633200 0.67145100 1.0 Hg Hg87 1 0.40837200 0.50000000 0.65803200 1.0 Hg Hg88 1 0.90366800 0.32854900 0.67277400 1.0 Hg Hg89 1 0.17145100 0.59633200 0.17277400 1.0 Hg Hg90 1 0.40366800 0.82722600 0.82854900 1.0 Hg Hg91 1 0.59162800 0.50000000 0.34196800 1.0 Hg Hg92 1 0.09633200 0.32854900 0.67277400 1.0 Hg Hg93 1 0.68495300 0.00000000 0.16433300 1.0 Hg Hg94 1 0.17277400 0.82854900 0.59633200 1.0 Hg Hg95 1 0.17145100 0.59633200 0.82722600 1.0 Hg Hg96 1 0.31504700 0.00000000 0.16433300 1.0 Hg Hg97 1 0.18495300 0.33566700 0.50000000 1.0 Hg Hg98 1 0.40366800 0.82722600 0.17145100 1.0 Hg Hg99 1 0.67145100 0.67277400 0.90366800 1.0 Hg Hg100 1 0.66433300 0.50000000 0.81504700 1.0 Hg Hg101 1 0.32854900 0.32722600 0.90366800 1.0 Hg Hg102 1 0.18495300 0.66433300 0.50000000 1.0 Hg Hg103 1 0.65803200 0.40837200 0.50000000 1.0 Hg Hg104 1 0.67145100 0.32722600 0.09633200 1.0 Hg Hg105 1 0.90366800 0.67145100 0.32722600 1.0 Hg Hg106 1 0.67145100 0.67277400 0.09633200 1.0 Hg Hg107 1 0.67277400 0.90366800 0.67145100 1.0 Hg Hg108 1 0.00000000 0.90837200 0.15803200 1.0 Hg Hg109 1 0.09162800 0.84196800 0.00000000 1.0 Hg Hg110 1 0.15803200 0.00000000 0.09162800 1.0 Hg Hg111 1 0.66433300 0.50000000 0.18495300 1.0 Hg Hg112 1 0.83566700 0.68495300 0.00000000 1.0 Hg Hg113 1 0.82854900 0.40366800 0.82722600 1.0 Hg Hg114 1 0.09162800 0.15803200 0.00000000 1.0 Hg Hg115 1 0.40837200 0.50000000 0.34196800 1.0 Hg Hg116 1 0.84196800 0.00000000 0.09162800 1.0 Hg Hg117 1 0.33566700 0.50000000 0.81504700 1.0 Hg Hg118 1 0.50000000 0.81504700 0.33566700 1.0 Hg Hg119 1 0.81504700 0.33566700 0.50000000 1.0 Hg Hg120 1 0.67277400 0.90366800 0.32854900 1.0 Hg Hg121 1 0.82722600 0.82854900 0.40366800 1.0 Hg Hg122 1 0.90837200 0.15803200 0.00000000 1.0 Hg Hg123 1 0.32854900 0.32722600 0.09633200 1.0 Hg Hg124 1 0.82722600 0.17145100 0.59633200 1.0 Hg Hg125 1 0.68495300 0.00000000 0.83566700 1.0 Hg Hg126 1 0.09633200 0.32854900 0.32722600 1.0 Hg Hg127 1 0.82722600 0.17145100 0.40366800 1.0 Hg Hg128 1 0.50000000 0.18495300 0.66433300 1.0 Hg Hg129 1 0.50000000 0.65803200 0.59162800 1.0 Hg Hg130 1 0.32722600 0.90366800 0.32854900 1.0 Hg Hg131 1 0.32854900 0.67277400 0.09633200 1.0 Hg Hg132 1 0.83566700 0.31504700 0.00000000 1.0 Hg Hg133 1 0.59162800 0.50000000 0.65803200 1.0 Hg Hg134 1 0.16433300 0.68495300 0.00000000 1.0 Hg Hg135 1 0.17145100 0.40366800 0.82722600 1.0 Hg Hg136 1 0.82854900 0.40366800 0.17277400 1.0 Hg Hg137 1 0.34196800 0.59162800 0.50000000 1.0 Hg Hg138 1 0.17277400 0.17145100 0.59633200 1.0 Hg Hg139 1 0.50000000 0.65803200 0.40837200 1.0 Hg Hg140 1 0.17277400 0.82854900 0.40366800 1.0 Hg Hg141 1 0.50000000 0.18495300 0.33566700 1.0 Hg Hg142 1 0.40366800 0.17277400 0.17145100 1.0 Hg Hg143 1 0.00000000 0.83566700 0.31504700 1.0 Hg Hg144 1 0.00000000 0.16433300 0.31504700 1.0 Hg Hg145 1 0.33566700 0.50000000 0.18495300 1.0 Hg Hg146 1 0.16433300 0.31504700 0.00000000 1.0 Hg Hg147 1 0.32722600 0.09633200 0.32854900 1.0 Hg Hg148 1 0.17277400 0.17145100 0.40366800 1.0 Hg Hg149 1 0.67277400 0.09633200 0.32854900 1.0 Hg Hg150 1 0.31504700 0.00000000 0.83566700 1.0 Hg Hg151 1 0.90837200 0.84196800 0.00000000 1.0 Hg Hg152 1 0.00000000 0.83566700 0.68495300 1.0 Hg Hg153 1 0.17145100 0.40366800 0.17277400 1.0 Hg Hg154 1 0.84196800 0.00000000 0.90837200 1.0 Hg Hg155 1 0.15803200 0.00000000 0.90837200 1.0