# generated using pymatgen data_La11Hg45 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 15.94553227 _cell_length_b 15.94553227 _cell_length_c 15.94553227 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural La11Hg45 _chemical_formula_sum 'La22 Hg90' _cell_volume 2866.83082052 _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 La La0 1 0.00000000 0.00000000 0.00000000 1.0 La La1 1 0.01498800 0.33013000 0.63989400 1.0 La La2 1 0.01498800 0.01498800 0.63989400 1.0 La La3 1 0.33013000 0.01498800 0.63989400 1.0 La La4 1 0.01498800 0.63989400 0.33013000 1.0 La La5 1 0.33013000 0.63989400 0.01498800 1.0 La La6 1 0.01498800 0.63989400 0.01498800 1.0 La La7 1 0.63989400 0.01498800 0.01498800 1.0 La La8 1 0.63989400 0.33013000 0.01498800 1.0 La La9 1 0.63989400 0.01498800 0.33013000 1.0 La La10 1 0.33013000 0.01498800 0.01498800 1.0 La La11 1 0.01498800 0.01498800 0.33013000 1.0 La La12 1 0.01498800 0.33013000 0.01498800 1.0 La La13 1 0.25000000 0.25000000 0.25000000 1.0 La La14 1 0.40615800 0.40615800 0.78152600 1.0 La La15 1 0.40615800 0.78152600 0.40615800 1.0 La La16 1 0.78152600 0.40615800 0.40615800 1.0 La La17 1 0.40615800 0.40615800 0.40615800 1.0 La La18 1 0.66164000 0.66164000 0.01508000 1.0 La La19 1 0.66164000 0.01508000 0.66164000 1.0 La La20 1 0.01508000 0.66164000 0.66164000 1.0 La La21 1 0.66164000 0.66164000 0.66164000 1.0 Hg Hg22 1 0.08309300 0.08309300 0.75072100 1.0 Hg Hg23 1 0.08309300 0.75072100 0.08309300 1.0 Hg Hg24 1 0.75072100 0.08309300 0.08309300 1.0 Hg Hg25 1 0.08309300 0.08309300 0.08309300 1.0 Hg Hg26 1 0.91452200 0.91452200 0.25643400 1.0 Hg Hg27 1 0.91452200 0.25643400 0.91452200 1.0 Hg Hg28 1 0.25643400 0.91452200 0.91452200 1.0 Hg Hg29 1 0.91452200 0.91452200 0.91452200 1.0 Hg Hg30 1 0.15461200 0.15461200 0.84538800 1.0 Hg Hg31 1 0.84538800 0.15461200 0.84538800 1.0 Hg Hg32 1 0.15461200 0.84538800 0.84538800 1.0 Hg Hg33 1 0.84538800 0.84538800 0.15461200 1.0 Hg Hg34 1 0.15461200 0.84538800 0.15461200 1.0 Hg Hg35 1 0.84538800 0.15461200 0.15461200 1.0 Hg Hg36 1 0.39178000 0.19966000 0.01678000 1.0 Hg Hg37 1 0.39178000 0.39178000 0.01678000 1.0 Hg Hg38 1 0.19966000 0.39178000 0.01678000 1.0 Hg Hg39 1 0.39178000 0.01678000 0.19966000 1.0 Hg Hg40 1 0.19966000 0.01678000 0.39178000 1.0 Hg Hg41 1 0.39178000 0.01678000 0.39178000 1.0 Hg Hg42 1 0.01678000 0.39178000 0.39178000 1.0 Hg Hg43 1 0.01678000 0.19966000 0.39178000 1.0 Hg Hg44 1 0.01678000 0.39178000 0.19966000 1.0 Hg Hg45 1 0.19966000 0.39178000 0.39178000 1.0 Hg Hg46 1 0.39178000 0.39178000 0.19966000 1.0 Hg Hg47 1 0.39178000 0.19966000 0.39178000 1.0 Hg Hg48 1 0.16267200 0.16267200 0.51198400 1.0 Hg Hg49 1 0.16267200 0.51198400 0.16267200 1.0 Hg Hg50 1 0.51198400 0.16267200 0.16267200 1.0 Hg Hg51 1 0.16267200 0.16267200 0.16267200 1.0 Hg Hg52 1 0.25918100 0.61552100 0.86611700 1.0 Hg Hg53 1 0.25918100 0.25918100 0.86611700 1.0 Hg Hg54 1 0.61552100 0.25918100 0.86611700 1.0 Hg Hg55 1 0.25918100 0.86611700 0.61552100 1.0 Hg Hg56 1 0.61552100 0.86611700 0.25918100 1.0 Hg Hg57 1 0.25918100 0.86611700 0.25918100 1.0 Hg Hg58 1 0.86611700 0.25918100 0.25918100 1.0 Hg Hg59 1 0.86611700 0.61552100 0.25918100 1.0 Hg Hg60 1 0.86611700 0.25918100 0.61552100 1.0 Hg Hg61 1 0.61552100 0.25918100 0.25918100 1.0 Hg Hg62 1 0.25918100 0.25918100 0.61552100 1.0 Hg Hg63 1 0.25918100 0.61552100 0.25918100 1.0 Hg Hg64 1 0.50000000 0.50000000 0.50000000 1.0 Hg Hg65 1 0.64170600 0.45006800 0.26651900 1.0 Hg Hg66 1 0.64170600 0.64170600 0.26651900 1.0 Hg Hg67 1 0.45006800 0.64170600 0.26651900 1.0 Hg Hg68 1 0.64170600 0.26651900 0.45006800 1.0 Hg Hg69 1 0.45006800 0.26651900 0.64170600 1.0 Hg Hg70 1 0.64170600 0.26651900 0.64170600 1.0 Hg Hg71 1 0.26651900 0.64170600 0.64170600 1.0 Hg Hg72 1 0.26651900 0.45006800 0.64170600 1.0 Hg Hg73 1 0.26651900 0.64170600 0.45006800 1.0 Hg Hg74 1 0.45006800 0.64170600 0.64170600 1.0 Hg Hg75 1 0.64170600 0.64170600 0.45006800 1.0 Hg Hg76 1 0.64170600 0.45006800 0.64170600 1.0 Hg Hg77 1 0.51153900 0.83695100 0.13997100 1.0 Hg Hg78 1 0.51153900 0.51153900 0.13997100 1.0 Hg Hg79 1 0.83695100 0.51153900 0.13997100 1.0 Hg Hg80 1 0.51153900 0.13997100 0.83695100 1.0 Hg Hg81 1 0.83695100 0.13997100 0.51153900 1.0 Hg Hg82 1 0.51153900 0.13997100 0.51153900 1.0 Hg Hg83 1 0.13997100 0.51153900 0.51153900 1.0 Hg Hg84 1 0.13997100 0.83695100 0.51153900 1.0 Hg Hg85 1 0.13997100 0.51153900 0.83695100 1.0 Hg Hg86 1 0.83695100 0.51153900 0.51153900 1.0 Hg Hg87 1 0.51153900 0.51153900 0.83695100 1.0 Hg Hg88 1 0.51153900 0.83695100 0.51153900 1.0 Hg Hg89 1 0.75000000 0.75000000 0.75000000 1.0 Hg Hg90 1 0.82830200 0.82830200 0.51509500 1.0 Hg Hg91 1 0.82830200 0.51509500 0.82830200 1.0 Hg Hg92 1 0.51509500 0.82830200 0.82830200 1.0 Hg Hg93 1 0.82830200 0.82830200 0.82830200 1.0 Hg Hg94 1 0.91138600 0.91138600 0.58861400 1.0 Hg Hg95 1 0.58861400 0.91138600 0.58861400 1.0 Hg Hg96 1 0.91138600 0.58861400 0.58861400 1.0 Hg Hg97 1 0.58861400 0.58861400 0.91138600 1.0 Hg Hg98 1 0.91138600 0.58861400 0.91138600 1.0 Hg Hg99 1 0.58861400 0.91138600 0.91138600 1.0 Hg Hg100 1 0.76394000 0.06737900 0.40474200 1.0 Hg Hg101 1 0.76394000 0.76394000 0.40474200 1.0 Hg Hg102 1 0.06737900 0.76394000 0.40474200 1.0 Hg Hg103 1 0.76394000 0.40474200 0.06737900 1.0 Hg Hg104 1 0.06737900 0.40474200 0.76394000 1.0 Hg Hg105 1 0.76394000 0.40474200 0.76394000 1.0 Hg Hg106 1 0.40474200 0.76394000 0.76394000 1.0 Hg Hg107 1 0.40474200 0.06737900 0.76394000 1.0 Hg Hg108 1 0.40474200 0.76394000 0.06737900 1.0 Hg Hg109 1 0.06737900 0.76394000 0.76394000 1.0 Hg Hg110 1 0.76394000 0.76394000 0.06737900 1.0 Hg Hg111 1 0.76394000 0.06737900 0.76394000 1.0