# generated using pymatgen data_Ca2Ac2YbSi4 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.73044725 _cell_length_b 8.15533295 _cell_length_c 15.66639742 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ca2Ac2YbSi4 _chemical_formula_sum 'Ca8 Ac8 Yb4 Si16' _cell_volume 987.67817470 _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 Ca Ca0 1 0.31757735 0.18054308 0.12219651 1.0 Ca Ca1 1 0.81757735 0.31945692 0.37780349 1.0 Ca Ca2 1 0.18242265 0.68054308 0.87780349 1.0 Ca Ca3 1 0.68242265 0.81945692 0.62219651 1.0 Ca Ca4 1 0.31757735 0.18054308 0.37780349 1.0 Ca Ca5 1 0.81757735 0.31945692 0.12219651 1.0 Ca Ca6 1 0.18242265 0.68054308 0.62219651 1.0 Ca Ca7 1 0.68242265 0.81945692 0.87780349 1.0 Ac Ac8 1 0.96913893 0.81620790 0.40031543 1.0 Ac Ac9 1 0.46913893 0.68379210 0.09968457 1.0 Ac Ac10 1 0.53086107 0.31620790 0.59968457 1.0 Ac Ac11 1 0.03086107 0.18379210 0.90031543 1.0 Ac Ac12 1 0.03086107 0.18379210 0.59968457 1.0 Ac Ac13 1 0.53086107 0.31620790 0.90031543 1.0 Ac Ac14 1 0.46913893 0.68379210 0.40031543 1.0 Ac Ac15 1 0.96913893 0.81620790 0.09968457 1.0 Yb Yb16 1 0.35887848 0.99262025 0.75000000 1.0 Yb Yb17 1 0.85887848 0.50737975 0.75000000 1.0 Yb Yb18 1 0.14112152 0.49262025 0.25000000 1.0 Yb Yb19 1 0.64112152 0.00737975 0.25000000 1.0 Si Si20 1 0.86267309 0.52861951 0.53788979 1.0 Si Si21 1 0.36267309 0.97138049 0.96211021 1.0 Si Si22 1 0.63732691 0.02861951 0.46211021 1.0 Si Si23 1 0.13732691 0.47138049 0.03788979 1.0 Si Si24 1 0.13732691 0.47138049 0.46211021 1.0 Si Si25 1 0.63732691 0.02861951 0.03788979 1.0 Si Si26 1 0.36267309 0.97138049 0.53788979 1.0 Si Si27 1 0.86267309 0.52861951 0.96211021 1.0 Si Si28 1 0.97284827 0.90279317 0.75000000 1.0 Si Si29 1 0.47284827 0.59720683 0.75000000 1.0 Si Si30 1 0.52715173 0.40279317 0.25000000 1.0 Si Si31 1 0.02715173 0.09720683 0.25000000 1.0 Si Si32 1 0.24612044 0.38355234 0.75000000 1.0 Si Si33 1 0.74612044 0.11644766 0.75000000 1.0 Si Si34 1 0.25387956 0.88355234 0.25000000 1.0 Si Si35 1 0.75387956 0.61644766 0.25000000 1.0