# generated using pymatgen data_Li6La3Nb2O12 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 11.16760023 _cell_length_b 11.16760023 _cell_length_c 11.16760023 _cell_angle_alpha 109.47122063 _cell_angle_beta 109.47122063 _cell_angle_gamma 109.47122063 _symmetry_Int_Tables_number 1 _chemical_formula_structural Li6La3Nb2O12 _chemical_formula_sum 'Li24 La12 Nb8 O48' _cell_volume 1072.15527439 _cell_formula_units_Z 4 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 0.17929100 0.75294500 0.29040200 1.0 Li Li1 1 0.25169300 0.06432200 0.45389900 1.0 Li Li2 1 0.06432200 0.45389900 0.25169300 1.0 Li Li3 1 0.20959800 0.96254300 0.88888900 1.0 Li Li4 1 0.11042400 0.79779400 0.04610100 1.0 Li Li5 1 0.04610100 0.11042400 0.79779400 1.0 Li Li6 1 0.29040200 0.17929100 0.75294500 1.0 Li Li7 1 0.38957600 0.43567800 0.68737100 1.0 Li Li8 1 0.57365400 0.32070900 0.61111100 1.0 Li Li9 1 0.32070900 0.61111100 0.57365400 1.0 Li Li10 1 0.45389900 0.25169300 0.06432200 1.0 Li Li11 1 0.24830700 0.70220600 0.81262900 1.0 Li Li12 1 0.75294500 0.29040200 0.17929100 1.0 Li Li13 1 0.53745700 0.74705500 0.92634600 1.0 Li Li14 1 0.68737100 0.38957600 0.43567800 1.0 Li Li15 1 0.43567800 0.68737100 0.38957600 1.0 Li Li16 1 0.61111100 0.57365400 0.32070900 1.0 Li Li17 1 0.70220600 0.81262900 0.24830700 1.0 Li Li18 1 0.96254300 0.88888900 0.20959800 1.0 Li Li19 1 0.88888900 0.20959800 0.96254300 1.0 Li Li20 1 0.79779400 0.04610100 0.11042400 1.0 Li Li21 1 0.92634600 0.53745700 0.74705500 1.0 Li Li22 1 0.74705500 0.92634600 0.53745700 1.0 Li Li23 1 0.81262900 0.24830700 0.70220600 1.0 La La24 1 0.12199400 0.25000000 0.37199400 1.0 La La25 1 0.25000000 0.86812300 0.61812300 1.0 La La26 1 0.12800600 0.37800600 0.75000000 1.0 La La27 1 0.37199400 0.12199400 0.25000000 1.0 La La28 1 0.25000000 0.37199400 0.12199400 1.0 La La29 1 0.61812300 0.25000000 0.86812300 1.0 La La30 1 0.75000000 0.63187700 0.88187700 1.0 La La31 1 0.63187700 0.88187700 0.75000000 1.0 La La32 1 0.37800600 0.75000000 0.12800600 1.0 La La33 1 0.86812300 0.61812300 0.25000000 1.0 La La34 1 0.88187700 0.75000000 0.63187700 1.0 La La35 1 0.75000000 0.12800600 0.37800600 1.0 Nb Nb36 1 0.00000000 0.99999800 0.50000000 1.0 Nb Nb37 1 0.00000000 0.49986200 0.50000000 1.0 Nb Nb38 1 0.00013800 0.00013800 0.00013800 1.0 Nb Nb39 1 0.99999800 0.50000000 0.00000000 1.0 Nb Nb40 1 0.49986200 0.50000000 0.00000000 1.0 Nb Nb41 1 0.50000000 0.00000000 0.99999800 1.0 Nb Nb42 1 0.50000200 0.50000200 0.50000200 1.0 Nb Nb43 1 0.50000000 0.00000000 0.49986200 1.0 O O44 1 0.08759900 0.61524400 0.41026100 1.0 O O45 1 0.11837800 0.02695700 0.20534100 1.0 O O46 1 0.02695700 0.20534100 0.11837800 1.0 O O47 1 0.08055400 0.88198200 0.40106000 1.0 O O48 1 0.08973900 0.70498300 0.67733800 1.0 O O49 1 0.09894000 0.98092200 0.67949400 1.0 O O50 1 0.17900300 0.19765200 0.58271600 1.0 O O51 1 0.41026100 0.08759900 0.61524400 1.0 O O52 1 0.38506400 0.30234800 0.48135100 1.0 O O53 1 0.30234800 0.48135100 0.38506400 1.0 O O54 1 0.32099700 0.90371300 0.01864900 1.0 O O55 1 0.01864900 0.32099700 0.90371300 1.0 O O56 1 0.17838400 0.47304300 0.59142000 1.0 O O57 1 0.20534100 0.11837800 0.02695700 1.0 O O58 1 0.40106000 0.08055400 0.88198200 1.0 O O59 1 0.32161600 0.91303700 0.29465900 1.0 O O60 1 0.29465900 0.32161600 0.91303700 1.0 O O61 1 0.11493600 0.59628700 0.91728400 1.0 O O62 1 0.52764500 0.41240100 0.82266200 1.0 O O63 1 0.41240100 0.82266200 0.52764500 1.0 O O64 1 0.51907800 0.61801800 0.69857300 1.0 O O65 1 0.38162200 0.58696300 0.90858000 1.0 O O66 1 0.58271600 0.17900300 0.19765200 1.0 O O67 1 0.19765200 0.58271600 0.17900300 1.0 O O68 1 0.80142700 0.41944600 0.82050600 1.0 O O69 1 0.41944600 0.82050600 0.80142700 1.0 O O70 1 0.61524400 0.41026100 0.08759900 1.0 O O71 1 0.48135100 0.38506400 0.30234800 1.0 O O72 1 0.59142000 0.17838400 0.47304300 1.0 O O73 1 0.47304300 0.59142000 0.17838400 1.0 O O74 1 0.88198200 0.40106000 0.08055400 1.0 O O75 1 0.70498300 0.67733800 0.08973900 1.0 O O76 1 0.67733800 0.08973900 0.70498300 1.0 O O77 1 0.59628700 0.91728400 0.11493600 1.0 O O78 1 0.79501700 0.88475600 0.97235500 1.0 O O79 1 0.98092200 0.67949400 0.09894000 1.0 O O80 1 0.67949400 0.09894000 0.98092200 1.0 O O81 1 0.82266200 0.52764500 0.41240100 1.0 O O82 1 0.69857300 0.51907800 0.61801800 1.0 O O83 1 0.61801800 0.69857300 0.51907800 1.0 O O84 1 0.58696300 0.90858000 0.38162200 1.0 O O85 1 0.82050600 0.80142700 0.41944600 1.0 O O86 1 0.90371300 0.01864900 0.32099700 1.0 O O87 1 0.91303700 0.29465900 0.32161600 1.0 O O88 1 0.91728400 0.11493600 0.59628700 1.0 O O89 1 0.97235500 0.79501700 0.88475600 1.0 O O90 1 0.88475600 0.97235500 0.79501700 1.0 O O91 1 0.90858000 0.38162200 0.58696300 1.0