# generated using pymatgen data_Ta2ZnSnRu4 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.41630989 _cell_length_b 6.25688402 _cell_length_c 13.25884321 _cell_angle_alpha 89.99985623 _cell_angle_beta 89.99975373 _cell_angle_gamma 89.99993521 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ta2ZnSnRu4 _chemical_formula_sum 'Ta6 Zn3 Sn3 Ru12' _cell_volume 366.37284712 _cell_formula_units_Z 3 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 Ta Ta0 1 0.99998956 0.99998816 0.98891272 1.0 Ta Ta1 1 0.49994745 0.49997745 0.16666474 1.0 Ta Ta2 1 0.99991352 0.99999326 0.34441869 1.0 Ta Ta3 1 0.50000240 0.50001608 0.51023479 1.0 Ta Ta4 1 0.00006630 0.00001108 0.66666818 1.0 Ta Ta5 1 0.50006412 0.50001565 0.82309943 1.0 Zn Zn6 1 0.50000159 0.00001167 0.50287807 1.0 Zn Zn7 1 0.00006608 0.50000707 0.66668123 1.0 Zn Zn8 1 0.50005795 0.00001164 0.83046906 1.0 Sn Sn9 1 0.99999085 0.50000125 0.99584665 1.0 Sn Sn10 1 0.49991683 0.99997119 0.16665535 1.0 Sn Sn11 1 0.99993337 0.50000504 0.33747467 1.0 Ru Ru12 1 0.49999203 0.24775233 0.99859581 1.0 Ru Ru13 1 0.49999210 0.75223981 0.99859192 1.0 Ru Ru14 1 0.99992614 0.25117939 0.16666411 1.0 Ru Ru15 1 0.99992624 0.74877670 0.16666440 1.0 Ru Ru16 1 0.49993543 0.24775290 0.33473513 1.0 Ru Ru17 1 0.49993592 0.75224346 0.33473748 1.0 Ru Ru18 1 0.00000961 0.24762768 0.50253771 1.0 Ru Ru19 1 0.00000747 0.75238836 0.50253887 1.0 Ru Ru20 1 0.50009193 0.24919808 0.66667079 1.0 Ru Ru21 1 0.50009692 0.75081980 0.66667094 1.0 Ru Ru22 1 0.00006727 0.24763118 0.83079744 1.0 Ru Ru23 1 0.00006692 0.75238377 0.83079582 1.0