# generated using pymatgen data_Li5Nb6O18 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.68553200 _cell_length_b 9.07608304 _cell_length_c 11.21764744 _cell_angle_alpha 105.77052043 _cell_angle_beta 95.18177097 _cell_angle_gamma 113.26479351 _symmetry_Int_Tables_number 1 _chemical_formula_structural Li5Nb6O18 _chemical_formula_sum 'Li10 Nb12 O36' _cell_volume 674.28634913 _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 0.69914600 0.99820000 0.79467000 1.0 Li Li1 1 0.37364300 0.33782300 0.13223800 1.0 Li Li2 1 0.87065300 0.33050300 0.12597000 1.0 Li Li3 1 0.20094200 0.00151700 0.29605500 1.0 Li Li4 1 0.03744800 0.66963800 0.46233100 1.0 Li Li5 1 0.53917200 0.66298500 0.46339100 1.0 Li Li6 1 0.37502700 0.33373800 0.62926000 1.0 Li Li7 1 0.87241400 0.33762200 0.63302000 1.0 Li Li8 1 0.03842700 0.66237100 0.96298200 1.0 Li Li9 1 0.53756100 0.66590900 0.96268800 1.0 Nb Nb10 1 0.98343400 0.00133200 0.01607100 1.0 Nb Nb11 1 0.65241900 0.32248100 0.34587600 1.0 Nb Nb12 1 0.97494000 0.00071000 0.50745800 1.0 Nb Nb13 1 0.48179800 0.99927300 0.51580900 1.0 Nb Nb14 1 0.65551000 0.33383900 0.84455500 1.0 Nb Nb15 1 0.14944800 0.32523200 0.84810800 1.0 Nb Nb16 1 0.47382300 0.99785200 0.00659700 1.0 Nb Nb17 1 0.32376000 0.67304300 0.18571000 1.0 Nb Nb18 1 0.82225500 0.66742400 0.17817700 1.0 Nb Nb19 1 0.15391600 0.33515400 0.34792200 1.0 Nb Nb20 1 0.31917900 0.66470700 0.67981100 1.0 Nb Nb21 1 0.82660000 0.67361600 0.68456900 1.0 O O22 1 0.66827000 0.20509100 0.45861600 1.0 O O23 1 0.63415600 0.12984200 0.68568300 1.0 O O24 1 0.33416100 0.53717500 0.78636400 1.0 O O25 1 0.38458700 0.27162200 0.80546300 1.0 O O26 1 0.66732100 0.20336900 0.94935300 1.0 O O27 1 0.29239500 0.45862200 0.01729200 1.0 O O28 1 0.00591500 0.87172900 0.12127500 1.0 O O29 1 0.28970400 0.08592500 0.01884700 1.0 O O30 1 0.04498200 0.58275100 0.13794200 1.0 O O31 1 0.05408200 0.21490600 0.14653500 1.0 O O32 1 0.63685200 0.14751400 0.17644900 1.0 O O33 1 0.33960200 0.53833000 0.28742800 1.0 O O34 1 0.96724100 0.79945800 0.34784300 1.0 O O35 1 0.37942200 0.25141600 0.30570500 1.0 O O36 1 0.96055900 0.41611000 0.35069200 1.0 O O37 1 0.70326500 0.91368300 0.47528900 1.0 O O38 1 0.02428300 0.12563600 0.37587700 1.0 O O39 1 0.71580100 0.54090900 0.47456200 1.0 O O40 1 0.30601900 0.46616400 0.51867400 1.0 O O41 1 0.98637800 0.85074700 0.60146400 1.0 O O42 1 0.29128600 0.08176400 0.51915200 1.0 O O43 1 0.04528700 0.58642400 0.64033600 1.0 O O44 1 0.62800000 0.74891500 0.68007100 1.0 O O45 1 0.04660600 0.20691100 0.64337100 1.0 O O46 1 0.67840300 0.45494800 0.69985100 1.0 O O47 1 0.40092400 0.87668100 0.81365100 1.0 O O48 1 0.96132300 0.79343900 0.85599900 1.0 O O49 1 0.96060500 0.41521700 0.84322300 1.0 O O50 1 0.71030400 0.91953400 0.97931400 1.0 O O51 1 0.99427100 0.12048700 0.87441400 1.0 O O52 1 0.72867200 0.54816200 0.97545300 1.0 O O53 1 0.33988200 0.79224200 0.04076600 1.0 O O54 1 0.61262100 0.72816900 0.16873100 1.0 O O55 1 0.67649200 0.45706000 0.20603600 1.0 O O56 1 0.37363000 0.87759800 0.31377500 1.0 O O57 1 0.33838500 0.78648200 0.53803400 1.0