# generated using pymatgen data_CaDy3(Sc3Sn4)2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.69663297 _cell_length_b 7.92188006 _cell_length_c 14.94447830 _cell_angle_alpha 90.01006989 _cell_angle_beta 88.53291949 _cell_angle_gamma 89.92540674 _symmetry_Int_Tables_number 1 _chemical_formula_structural CaDy3(Sc3Sn4)2 _chemical_formula_sum 'Ca2 Dy6 Sc12 Sn16' _cell_volume 910.89231135 _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 Ca Ca0 1 0.99068708 0.17507200 0.09299899 1.0 Ca Ca1 1 0.00931292 0.82492800 0.90700101 1.0 Dy Dy2 1 0.50685205 0.67728457 0.90280601 1.0 Dy Dy3 1 0.01206702 0.82033394 0.59558813 1.0 Dy Dy4 1 0.49314795 0.32271543 0.09719399 1.0 Dy Dy5 1 0.98793298 0.17966606 0.40441187 1.0 Dy Dy6 1 0.48696634 0.31869966 0.40504026 1.0 Dy Dy7 1 0.51303366 0.68130034 0.59495974 1.0 Sc Sc8 1 0.17732409 0.49608083 0.74712973 1.0 Sc Sc9 1 0.82267591 0.50391917 0.25287027 1.0 Sc Sc10 1 0.32344295 0.99636596 0.25374360 1.0 Sc Sc11 1 0.67655705 0.00363404 0.74625640 1.0 Sc Sc12 1 0.34911138 0.15802408 0.62498286 1.0 Sc Sc13 1 0.65088862 0.84197592 0.37501714 1.0 Sc Sc14 1 0.15025483 0.65916893 0.37551868 1.0 Sc Sc15 1 0.66202998 0.83819464 0.12766791 1.0 Sc Sc16 1 0.84974517 0.34083107 0.62448132 1.0 Sc Sc17 1 0.33797002 0.16180536 0.87233209 1.0 Sc Sc18 1 0.83801685 0.33892109 0.87353544 1.0 Sc Sc19 1 0.16198315 0.66107891 0.12646456 1.0 Sn Sn20 1 0.03803865 0.12790635 0.74944031 1.0 Sn Sn21 1 0.96196135 0.87209365 0.25055969 1.0 Sn Sn22 1 0.46130748 0.62647855 0.25116954 1.0 Sn Sn23 1 0.53869252 0.37352145 0.74883046 1.0 Sn Sn24 1 0.31604450 0.85104915 0.74939757 1.0 Sn Sn25 1 0.68395550 0.14895085 0.25060243 1.0 Sn Sn26 1 0.18505222 0.35110305 0.24938729 1.0 Sn Sn27 1 0.81494778 0.64889695 0.75061271 1.0 Sn Sn28 1 0.19484665 0.45644837 0.54196809 1.0 Sn Sn29 1 0.80515335 0.54355163 0.45803191 1.0 Sn Sn30 1 0.30421469 0.95447164 0.45866020 1.0 Sn Sn31 1 0.81953470 0.54199725 0.04313698 1.0 Sn Sn32 1 0.69578531 0.04552836 0.54133980 1.0 Sn Sn33 1 0.18046530 0.45800275 0.95686302 1.0 Sn Sn34 1 0.66916243 0.04064929 0.95604395 1.0 Sn Sn35 1 0.33083757 0.95935071 0.04395605 1.0