# generated using pymatgen data_Ac16YbSi16Hg3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.89284363 _cell_length_b 8.37537512 _cell_length_c 16.13671224 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 89.92216853 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ac16YbSi16Hg3 _chemical_formula_sum 'Ac16 Yb1 Si16 Hg3' _cell_volume 1066.72486776 _cell_formula_units_Z 1 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 Ac Ac0 1 0.30913254 0.19643046 0.12851448 1.0 Ac Ac1 1 0.83117470 0.32099712 0.37258523 1.0 Ac Ac2 1 0.17829157 0.68834849 0.86430482 1.0 Ac Ac3 1 0.67411272 0.82012778 0.63086628 1.0 Ac Ac4 1 0.30913254 0.19643046 0.37148552 1.0 Ac Ac5 1 0.83117470 0.32099712 0.12741477 1.0 Ac Ac6 1 0.17829157 0.68834849 0.63569518 1.0 Ac Ac7 1 0.67411272 0.82012778 0.86913372 1.0 Ac Ac8 1 0.96932203 0.80415704 0.39915242 1.0 Ac Ac9 1 0.45972174 0.68143153 0.10227629 1.0 Ac Ac10 1 0.53734026 0.30441212 0.60149981 1.0 Ac Ac11 1 0.04164284 0.19788683 0.89240408 1.0 Ac Ac12 1 0.04164284 0.19788683 0.60759592 1.0 Ac Ac13 1 0.53734026 0.30441212 0.89850019 1.0 Ac Ac14 1 0.45972174 0.68143153 0.39772371 1.0 Ac Ac15 1 0.96932203 0.80415704 0.10084758 1.0 Yb Yb16 1 0.64079459 0.97920790 0.25000000 1.0 Si Si17 1 0.85980293 0.53047954 0.53457029 1.0 Si Si18 1 0.35626495 0.96917268 0.97354172 1.0 Si Si19 1 0.63153365 0.01869093 0.45726738 1.0 Si Si20 1 0.14023556 0.47563993 0.02364114 1.0 Si Si21 1 0.14023556 0.47563993 0.47635886 1.0 Si Si22 1 0.63153365 0.01869093 0.04273262 1.0 Si Si23 1 0.35626495 0.96917268 0.52645828 1.0 Si Si24 1 0.85980293 0.53047954 0.96542971 1.0 Si Si25 1 0.97725182 0.93980035 0.75000000 1.0 Si Si26 1 0.48833924 0.55850653 0.75000000 1.0 Si Si27 1 0.53391370 0.41350115 0.25000000 1.0 Si Si28 1 0.01424663 0.05439087 0.25000000 1.0 Si Si29 1 0.26876509 0.36671065 0.75000000 1.0 Si Si30 1 0.75778605 0.13347625 0.75000000 1.0 Si Si31 1 0.25634971 0.87798769 0.25000000 1.0 Si Si32 1 0.73737048 0.62794489 0.25000000 1.0 Hg Hg33 1 0.35426842 0.02106187 0.75000000 1.0 Hg Hg34 1 0.84589824 0.48328289 0.75000000 1.0 Hg Hg35 1 0.14786403 0.52857904 0.25000000 1.0