# generated using pymatgen data_Nd11Hg45 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 15.83356333 _cell_length_b 15.83356333 _cell_length_c 15.83356333 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Nd11Hg45 _chemical_formula_sum 'Nd22 Hg90' _cell_volume 2806.86155715 _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 Nd Nd0 1 0.00000000 0.00000000 0.00000000 1.0 Nd Nd1 1 0.01573600 0.32976100 0.63876600 1.0 Nd Nd2 1 0.01573600 0.01573600 0.63876600 1.0 Nd Nd3 1 0.32976100 0.01573600 0.63876600 1.0 Nd Nd4 1 0.01573600 0.63876600 0.32976100 1.0 Nd Nd5 1 0.32976100 0.63876600 0.01573600 1.0 Nd Nd6 1 0.01573600 0.63876600 0.01573600 1.0 Nd Nd7 1 0.63876600 0.01573600 0.01573600 1.0 Nd Nd8 1 0.63876600 0.32976100 0.01573600 1.0 Nd Nd9 1 0.63876600 0.01573600 0.32976100 1.0 Nd Nd10 1 0.32976100 0.01573600 0.01573600 1.0 Nd Nd11 1 0.01573600 0.01573600 0.32976100 1.0 Nd Nd12 1 0.01573600 0.32976100 0.01573600 1.0 Nd Nd13 1 0.25000000 0.25000000 0.25000000 1.0 Nd Nd14 1 0.40581400 0.40581400 0.78255900 1.0 Nd Nd15 1 0.40581400 0.78255900 0.40581400 1.0 Nd Nd16 1 0.78255900 0.40581400 0.40581400 1.0 Nd Nd17 1 0.40581400 0.40581400 0.40581400 1.0 Nd Nd18 1 0.66180900 0.66180900 0.01457200 1.0 Nd Nd19 1 0.66180900 0.01457200 0.66180900 1.0 Nd Nd20 1 0.01457200 0.66180900 0.66180900 1.0 Nd Nd21 1 0.66180900 0.66180900 0.66180900 1.0 Hg Hg22 1 0.08295000 0.08295000 0.75115100 1.0 Hg Hg23 1 0.08295000 0.75115100 0.08295000 1.0 Hg Hg24 1 0.75115100 0.08295000 0.08295000 1.0 Hg Hg25 1 0.08295000 0.08295000 0.08295000 1.0 Hg Hg26 1 0.91457900 0.91457900 0.25626200 1.0 Hg Hg27 1 0.91457900 0.25626200 0.91457900 1.0 Hg Hg28 1 0.25626200 0.91457900 0.91457900 1.0 Hg Hg29 1 0.91457900 0.91457900 0.91457900 1.0 Hg Hg30 1 0.15350800 0.15350800 0.84649200 1.0 Hg Hg31 1 0.84649200 0.15350800 0.84649200 1.0 Hg Hg32 1 0.15350800 0.84649200 0.84649200 1.0 Hg Hg33 1 0.84649200 0.84649200 0.15350800 1.0 Hg Hg34 1 0.15350800 0.84649200 0.15350800 1.0 Hg Hg35 1 0.84649200 0.15350800 0.15350800 1.0 Hg Hg36 1 0.39186900 0.19965500 0.01660800 1.0 Hg Hg37 1 0.39186900 0.39186900 0.01660800 1.0 Hg Hg38 1 0.19965500 0.39186900 0.01660800 1.0 Hg Hg39 1 0.39186900 0.01660800 0.19965500 1.0 Hg Hg40 1 0.19965500 0.01660800 0.39186900 1.0 Hg Hg41 1 0.39186900 0.01660800 0.39186900 1.0 Hg Hg42 1 0.01660800 0.39186900 0.39186900 1.0 Hg Hg43 1 0.01660800 0.19965500 0.39186900 1.0 Hg Hg44 1 0.01660800 0.39186900 0.19965500 1.0 Hg Hg45 1 0.19965500 0.39186900 0.39186900 1.0 Hg Hg46 1 0.39186900 0.39186900 0.19965500 1.0 Hg Hg47 1 0.39186900 0.19965500 0.39186900 1.0 Hg Hg48 1 0.16221700 0.16221700 0.51335000 1.0 Hg Hg49 1 0.16221700 0.51335000 0.16221700 1.0 Hg Hg50 1 0.51335000 0.16221700 0.16221700 1.0 Hg Hg51 1 0.16221700 0.16221700 0.16221700 1.0 Hg Hg52 1 0.25853700 0.61426600 0.86865900 1.0 Hg Hg53 1 0.25853700 0.25853700 0.86865900 1.0 Hg Hg54 1 0.61426600 0.25853700 0.86865900 1.0 Hg Hg55 1 0.25853700 0.86865900 0.61426600 1.0 Hg Hg56 1 0.61426600 0.86865900 0.25853700 1.0 Hg Hg57 1 0.25853700 0.86865900 0.25853700 1.0 Hg Hg58 1 0.86865900 0.25853700 0.25853700 1.0 Hg Hg59 1 0.86865900 0.61426600 0.25853700 1.0 Hg Hg60 1 0.86865900 0.25853700 0.61426600 1.0 Hg Hg61 1 0.61426600 0.25853700 0.25853700 1.0 Hg Hg62 1 0.25853700 0.25853700 0.61426600 1.0 Hg Hg63 1 0.25853700 0.61426600 0.25853700 1.0 Hg Hg64 1 0.50000000 0.50000000 0.50000000 1.0 Hg Hg65 1 0.64209900 0.44952200 0.26628000 1.0 Hg Hg66 1 0.64209900 0.64209900 0.26628000 1.0 Hg Hg67 1 0.44952200 0.64209900 0.26628000 1.0 Hg Hg68 1 0.64209900 0.26628000 0.44952200 1.0 Hg Hg69 1 0.44952200 0.26628000 0.64209900 1.0 Hg Hg70 1 0.64209900 0.26628000 0.64209900 1.0 Hg Hg71 1 0.26628000 0.64209900 0.64209900 1.0 Hg Hg72 1 0.26628000 0.44952200 0.64209900 1.0 Hg Hg73 1 0.26628000 0.64209900 0.44952200 1.0 Hg Hg74 1 0.44952200 0.64209900 0.64209900 1.0 Hg Hg75 1 0.64209900 0.64209900 0.44952200 1.0 Hg Hg76 1 0.64209900 0.44952200 0.64209900 1.0 Hg Hg77 1 0.51183200 0.83720800 0.13912800 1.0 Hg Hg78 1 0.51183200 0.51183200 0.13912800 1.0 Hg Hg79 1 0.83720800 0.51183200 0.13912800 1.0 Hg Hg80 1 0.51183200 0.13912800 0.83720800 1.0 Hg Hg81 1 0.83720800 0.13912800 0.51183200 1.0 Hg Hg82 1 0.51183200 0.13912800 0.51183200 1.0 Hg Hg83 1 0.13912800 0.51183200 0.51183200 1.0 Hg Hg84 1 0.13912800 0.83720800 0.51183200 1.0 Hg Hg85 1 0.13912800 0.51183200 0.83720800 1.0 Hg Hg86 1 0.83720800 0.51183200 0.51183200 1.0 Hg Hg87 1 0.51183200 0.51183200 0.83720800 1.0 Hg Hg88 1 0.51183200 0.83720800 0.51183200 1.0 Hg Hg89 1 0.75000000 0.75000000 0.75000000 1.0 Hg Hg90 1 0.82789400 0.82789400 0.51631700 1.0 Hg Hg91 1 0.82789400 0.51631700 0.82789400 1.0 Hg Hg92 1 0.51631700 0.82789400 0.82789400 1.0 Hg Hg93 1 0.82789400 0.82789400 0.82789400 1.0 Hg Hg94 1 0.91141200 0.91141200 0.58858800 1.0 Hg Hg95 1 0.58858800 0.91141200 0.58858800 1.0 Hg Hg96 1 0.91141200 0.58858800 0.58858800 1.0 Hg Hg97 1 0.58858800 0.58858800 0.91141200 1.0 Hg Hg98 1 0.91141200 0.58858800 0.91141200 1.0 Hg Hg99 1 0.58858800 0.91141200 0.91141200 1.0 Hg Hg100 1 0.76484900 0.06584400 0.40445700 1.0 Hg Hg101 1 0.76484900 0.76484900 0.40445700 1.0 Hg Hg102 1 0.06584400 0.76484900 0.40445700 1.0 Hg Hg103 1 0.76484900 0.40445700 0.06584400 1.0 Hg Hg104 1 0.06584400 0.40445700 0.76484900 1.0 Hg Hg105 1 0.76484900 0.40445700 0.76484900 1.0 Hg Hg106 1 0.40445700 0.76484900 0.76484900 1.0 Hg Hg107 1 0.40445700 0.06584400 0.76484900 1.0 Hg Hg108 1 0.40445700 0.76484900 0.06584400 1.0 Hg Hg109 1 0.06584400 0.76484900 0.76484900 1.0 Hg Hg110 1 0.76484900 0.76484900 0.06584400 1.0 Hg Hg111 1 0.76484900 0.06584400 0.76484900 1.0