# generated using pymatgen data_MnNb2(SnRu2)3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.47310615 _cell_length_b 6.35030620 _cell_length_c 13.41115822 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00048389 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural MnNb2(SnRu2)3 _chemical_formula_sum 'Mn2 Nb4 Sn6 Ru12' _cell_volume 380.95191234 _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 Mn Mn0 1 0.99999019 0.00000000 0.00105250 1.0 Mn Mn1 1 0.49997674 0.50000100 0.16561728 1.0 Nb Nb2 1 0.00000116 0.00000000 0.32631132 1.0 Nb Nb3 1 0.50000883 0.50000100 0.49698064 1.0 Nb Nb4 1 0.00001149 0.00000000 0.66968878 1.0 Nb Nb5 1 0.49999839 0.50000100 0.84034906 1.0 Sn Sn6 1 0.99999555 0.50000100 0.00509597 1.0 Sn Sn7 1 0.49996614 0.00000000 0.16156903 1.0 Sn Sn8 1 0.99998519 0.50000100 0.32717506 1.0 Sn Sn9 1 0.50001685 0.00000000 0.49907905 1.0 Sn Sn10 1 0.00002963 0.50000100 0.66758116 1.0 Sn Sn11 1 0.50001785 0.00000000 0.83949824 1.0 Ru Ru12 1 0.49999325 0.25456523 0.99814994 1.0 Ru Ru13 1 0.49999325 0.74543577 0.99814994 1.0 Ru Ru14 1 0.99996789 0.24544538 0.16852289 1.0 Ru Ru15 1 0.99996789 0.75455462 0.16852289 1.0 Ru Ru16 1 0.49998375 0.24761542 0.33614865 1.0 Ru Ru17 1 0.49998375 0.75238358 0.33614865 1.0 Ru Ru18 1 0.00001470 0.25270052 0.50058345 1.0 Ru Ru19 1 0.00001470 0.74729948 0.50058345 1.0 Ru Ru20 1 0.50002806 0.24729410 0.66608246 1.0 Ru Ru21 1 0.50002806 0.75270490 0.66608246 1.0 Ru Ru22 1 0.00001485 0.25239106 0.83051458 1.0 Ru Ru23 1 0.00001485 0.74760894 0.83051458 1.0