# generated using pymatgen data_Lu4MgZnSn3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.33447704 _cell_length_b 7.94477582 _cell_length_c 14.94939072 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Lu4MgZnSn3 _chemical_formula_sum 'Lu16 Mg4 Zn4 Sn12' _cell_volume 871.11259564 _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 Lu Lu0 1 0.33364364 0.17329227 0.63289177 1.0 Lu Lu1 1 0.66635636 0.82670773 0.36710823 1.0 Lu Lu2 1 0.16635636 0.67329227 0.36710823 1.0 Lu Lu3 1 0.66635636 0.82670773 0.13289177 1.0 Lu Lu4 1 0.83364364 0.32670773 0.63289177 1.0 Lu Lu5 1 0.33364364 0.17329227 0.86710823 1.0 Lu Lu6 1 0.83364364 0.32670773 0.86710823 1.0 Lu Lu7 1 0.16635636 0.67329227 0.13289177 1.0 Lu Lu8 1 0.99743837 0.18168227 0.09160136 1.0 Lu Lu9 1 0.00256163 0.81831773 0.90839864 1.0 Lu Lu10 1 0.50256163 0.68168227 0.90839864 1.0 Lu Lu11 1 0.00256163 0.81831773 0.59160136 1.0 Lu Lu12 1 0.49743837 0.31831773 0.09160136 1.0 Lu Lu13 1 0.99743837 0.18168227 0.40839864 1.0 Lu Lu14 1 0.49743837 0.31831773 0.40839864 1.0 Lu Lu15 1 0.50256163 0.68168227 0.59160136 1.0 Mg Mg16 1 0.17309092 0.49981236 0.75000000 1.0 Mg Mg17 1 0.82690908 0.50018764 0.25000000 1.0 Mg Mg18 1 0.32690908 0.99981236 0.25000000 1.0 Mg Mg19 1 0.67309092 0.00018764 0.75000000 1.0 Zn Zn20 1 0.02833529 0.09635002 0.75000000 1.0 Zn Zn21 1 0.97166471 0.90364998 0.25000000 1.0 Zn Zn22 1 0.47166471 0.59635002 0.25000000 1.0 Zn Zn23 1 0.52833529 0.40364998 0.75000000 1.0 Sn Sn24 1 0.18351793 0.46566002 0.53820548 1.0 Sn Sn25 1 0.81648207 0.53433998 0.46179452 1.0 Sn Sn26 1 0.31648207 0.96566002 0.46179452 1.0 Sn Sn27 1 0.81648207 0.53433998 0.03820548 1.0 Sn Sn28 1 0.68351793 0.03433998 0.53820548 1.0 Sn Sn29 1 0.18351793 0.46566002 0.96179452 1.0 Sn Sn30 1 0.68351793 0.03433998 0.96179452 1.0 Sn Sn31 1 0.31648207 0.96566002 0.03820548 1.0 Sn Sn32 1 0.29619422 0.85701934 0.75000000 1.0 Sn Sn33 1 0.70380578 0.14298066 0.25000000 1.0 Sn Sn34 1 0.20380578 0.35701934 0.25000000 1.0 Sn Sn35 1 0.79619422 0.64298066 0.75000000 1.0