# generated using pymatgen data_Ca3Nd8Dy9Si16 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.46748833 _cell_length_b 7.83155385 _cell_length_c 14.91752202 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.03874396 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ca3Nd8Dy9Si16 _chemical_formula_sum 'Ca3 Nd8 Dy9 Si16' _cell_volume 872.40687506 _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 Ca Ca0 1 0.65025771 0.98719535 0.25000000 1.0 Ca Ca1 1 0.15250682 0.51113211 0.25000000 1.0 Ca Ca2 1 0.84721403 0.48562302 0.75000000 1.0 Nd Nd3 1 0.97355072 0.81755802 0.09855635 1.0 Nd Nd4 1 0.47545278 0.68022172 0.40252401 1.0 Nd Nd5 1 0.52317743 0.32281208 0.90269375 1.0 Nd Nd6 1 0.02328160 0.18177615 0.59838352 1.0 Nd Nd7 1 0.02328160 0.18177615 0.90161648 1.0 Nd Nd8 1 0.52317743 0.32281208 0.59730625 1.0 Nd Nd9 1 0.47545278 0.68022172 0.09747599 1.0 Nd Nd10 1 0.97355072 0.81755802 0.40144365 1.0 Dy Dy11 1 0.34966197 0.01260526 0.75000000 1.0 Dy Dy12 1 0.68137940 0.81856162 0.87631758 1.0 Dy Dy13 1 0.17742162 0.68158130 0.62351329 1.0 Dy Dy14 1 0.82157950 0.31771977 0.12234831 1.0 Dy Dy15 1 0.32026677 0.17938772 0.37803125 1.0 Dy Dy16 1 0.32026677 0.17938772 0.12196875 1.0 Dy Dy17 1 0.82157950 0.31771977 0.37765169 1.0 Dy Dy18 1 0.17742162 0.68158130 0.87648671 1.0 Dy Dy19 1 0.68137940 0.81856162 0.62368242 1.0 Si Si20 1 0.76229809 0.61197285 0.25000000 1.0 Si Si21 1 0.26249195 0.88619608 0.25000000 1.0 Si Si22 1 0.72971693 0.11289854 0.75000000 1.0 Si Si23 1 0.23927073 0.38019593 0.75000000 1.0 Si Si24 1 0.03031672 0.10588923 0.25000000 1.0 Si Si25 1 0.53108031 0.39059528 0.25000000 1.0 Si Si26 1 0.46758115 0.61450838 0.75000000 1.0 Si Si27 1 0.97593675 0.89702614 0.75000000 1.0 Si Si28 1 0.85230184 0.53217834 0.96454125 1.0 Si Si29 1 0.35623074 0.97149692 0.54070977 1.0 Si Si30 1 0.64763925 0.03086701 0.03515396 1.0 Si Si31 1 0.14855277 0.46791926 0.46455531 1.0 Si Si32 1 0.14855277 0.46791926 0.03544469 1.0 Si Si33 1 0.64763925 0.03086701 0.46484604 1.0 Si Si34 1 0.35623074 0.97149692 0.95929023 1.0 Si Si35 1 0.85230184 0.53217834 0.53545875 1.0