# generated using pymatgen data_LiTa3(SnRu3)2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.43878264 _cell_length_b 6.26710090 _cell_length_c 13.30770106 _cell_angle_alpha 90.00000000 _cell_angle_beta 89.99987737 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural LiTa3(SnRu3)2 _chemical_formula_sum 'Li2 Ta6 Sn4 Ru12' _cell_volume 370.19760284 _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 Li Li0 1 0.00000318 0.50000100 0.00235335 1.0 Li Li1 1 0.50000587 0.00000000 0.16433930 1.0 Ta Ta2 1 0.00000604 0.00000000 0.00690683 1.0 Ta Ta3 1 0.50000393 0.50000100 0.15974962 1.0 Ta Ta4 1 0.00000199 0.00000000 0.31944089 1.0 Ta Ta5 1 0.49999280 0.50000100 0.49543188 1.0 Ta Ta6 1 0.99999343 0.00000000 0.67123234 1.0 Ta Ta7 1 0.50000273 0.50000100 0.84722822 1.0 Sn Sn8 1 0.99999814 0.50000100 0.32755672 1.0 Sn Sn9 1 0.49999513 0.00000000 0.49730599 1.0 Sn Sn10 1 0.99999852 0.50000100 0.66936315 1.0 Sn Sn11 1 0.50000512 0.00000000 0.83910416 1.0 Ru Ru12 1 0.50000362 0.25353288 0.00299493 1.0 Ru Ru13 1 0.50000362 0.74646712 0.00299493 1.0 Ru Ru14 1 0.00000224 0.24647357 0.16366530 1.0 Ru Ru15 1 0.00000224 0.75352743 0.16366530 1.0 Ru Ru16 1 0.49999466 0.24725617 0.33195486 1.0 Ru Ru17 1 0.49999466 0.75274383 0.33195486 1.0 Ru Ru18 1 0.99999421 0.25148157 0.50080856 1.0 Ru Ru19 1 0.99999421 0.74851943 0.50080856 1.0 Ru Ru20 1 0.50000002 0.24851662 0.66585922 1.0 Ru Ru21 1 0.50000002 0.75148338 0.66585922 1.0 Ru Ru22 1 0.00000282 0.25276275 0.83471140 1.0 Ru Ru23 1 0.00000282 0.74723825 0.83471140 1.0