# generated using pymatgen data_LiNb2(GeRu2)3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.32039454 _cell_length_b 6.12010361 _cell_length_c 12.87704792 _cell_angle_alpha 90.00000000 _cell_angle_beta 89.99967590 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural LiNb2(GeRu2)3 _chemical_formula_sum 'Li2 Nb4 Ge6 Ru12' _cell_volume 340.48540051 _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 0.99999258 0.00000000 0.99879479 1.0 Li Li1 1 0.50003393 0.50000000 0.16779066 1.0 Nb Nb2 1 0.99999181 0.00000000 0.32147948 1.0 Nb Nb3 1 0.49999613 0.50000000 0.49687139 1.0 Nb Nb4 1 0.00000190 0.00000000 0.66983972 1.0 Nb Nb5 1 0.49999060 0.50000000 0.84512208 1.0 Ge Ge6 1 0.99998134 0.50000000 0.00553371 1.0 Ge Ge7 1 0.50001900 0.00000000 0.16122066 1.0 Ge Ge8 1 0.00000372 0.50000000 0.31676257 1.0 Ge Ge9 1 0.49999926 0.00000000 0.49567257 1.0 Ge Ge10 1 0.99999413 0.50000000 0.67081240 1.0 Ge Ge11 1 0.49999062 0.00000000 0.84999841 1.0 Ru Ru12 1 0.49999854 0.25130377 0.00374341 1.0 Ru Ru13 1 0.49999854 0.74869623 0.00374341 1.0 Ru Ru14 1 0.00000858 0.24909173 0.16304022 1.0 Ru Ru15 1 0.00000858 0.75090827 0.16304022 1.0 Ru Ru16 1 0.50000885 0.24994186 0.33423875 1.0 Ru Ru17 1 0.50000885 0.75005914 0.33423875 1.0 Ru Ru18 1 0.99999895 0.25121734 0.49975438 1.0 Ru Ru19 1 0.99999895 0.74878166 0.49975438 1.0 Ru Ru20 1 0.49999991 0.24874513 0.66686054 1.0 Ru Ru21 1 0.49999991 0.75125587 0.66686054 1.0 Ru Ru22 1 0.99998666 0.25016773 0.83241447 1.0 Ru Ru23 1 0.99998666 0.74983227 0.83241447 1.0