# generated using pymatgen data_Li6Nd6Sb(TeO8)3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 11.01750721 _cell_length_b 11.01750721 _cell_length_c 12.73289543 _cell_angle_alpha 54.83832042 _cell_angle_beta 54.83832042 _cell_angle_gamma 70.62754794 _symmetry_Int_Tables_number 1 _chemical_formula_structural Li6Nd6Sb(TeO8)3 _chemical_formula_sum 'Li12 Nd12 Sb2 Te6 O48' _cell_volume 1033.00283466 _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 0.87517300 0.37432100 0.87568800 1.0 Li Li1 1 0.87481300 0.12518700 0.25000000 1.0 Li Li2 1 0.75100600 0.75031800 0.37409300 1.0 Li Li3 1 0.62456000 0.37544000 0.75000000 1.0 Li Li4 1 0.75031800 0.75100600 0.87409300 1.0 Li Li5 1 0.62567900 0.12482700 0.62431200 1.0 Li Li6 1 0.37432100 0.87517300 0.37568800 1.0 Li Li7 1 0.24899400 0.24968200 0.62590700 1.0 Li Li8 1 0.24968200 0.24899400 0.12590700 1.0 Li Li9 1 0.37544000 0.62456000 0.25000000 1.0 Li Li10 1 0.12518700 0.87481300 0.75000000 1.0 Li Li11 1 0.12482700 0.62567900 0.12431200 1.0 Nd Nd12 1 0.87521300 0.12478700 0.75000000 1.0 Nd Nd13 1 0.74885200 0.74962800 0.62620400 1.0 Nd Nd14 1 0.87350900 0.37544700 0.37481500 1.0 Nd Nd15 1 0.37567500 0.62432500 0.75000000 1.0 Nd Nd16 1 0.74962800 0.74885200 0.12620400 1.0 Nd Nd17 1 0.62455300 0.12649100 0.12518500 1.0 Nd Nd18 1 0.37544700 0.87350900 0.87481500 1.0 Nd Nd19 1 0.25037200 0.25114800 0.87379600 1.0 Nd Nd20 1 0.62432500 0.37567500 0.25000000 1.0 Nd Nd21 1 0.12649100 0.62455300 0.62518500 1.0 Nd Nd22 1 0.25114800 0.25037200 0.37379600 1.0 Nd Nd23 1 0.12478700 0.87521300 0.25000000 1.0 Sb Sb24 1 0.50000000 0.50000000 0.50000000 1.0 Sb Sb25 1 0.50000000 0.50000000 0.00000000 1.0 Te Te26 1 0.00000000 0.50000000 0.00000000 1.0 Te Te27 1 0.50000000 0.00000000 0.50000000 1.0 Te Te28 1 0.50000000 0.00000000 0.00000000 1.0 Te Te29 1 0.00000000 0.50000000 0.50000000 1.0 Te Te30 1 0.00000000 0.00000000 0.50000000 1.0 Te Te31 1 0.00000000 0.00000000 0.00000000 1.0 O O32 1 0.90709200 0.80698800 0.66961500 1.0 O O33 1 0.97712900 0.92346600 0.90617400 1.0 O O34 1 0.88366700 0.16985000 0.92286800 1.0 O O35 1 0.92340300 0.52282300 0.67009700 1.0 O O36 1 0.92346600 0.97712900 0.40617400 1.0 O O37 1 0.90698000 0.69335900 0.42337400 1.0 O O38 1 0.82998700 0.38291500 0.59346000 1.0 O O39 1 0.57905500 0.52814600 0.79976300 1.0 O O40 1 0.61708500 0.17001300 0.90654000 1.0 O O41 1 0.69335900 0.90698000 0.92337400 1.0 O O42 1 0.83015000 0.11633300 0.57713200 1.0 O O43 1 0.66989600 0.11584200 0.30769400 1.0 O O44 1 0.97680600 0.57645300 0.11659300 1.0 O O45 1 0.80698800 0.90709200 0.16961500 1.0 O O46 1 0.59387100 0.80746200 0.52219200 1.0 O O47 1 0.70010800 0.59400800 0.37844500 1.0 O O48 1 0.67250000 0.37862200 0.02722600 1.0 O O49 1 0.88415800 0.33010400 0.19230600 1.0 O O50 1 0.59400800 0.70010800 0.87844500 1.0 O O51 1 0.47185400 0.42094500 0.70023700 1.0 O O52 1 0.47717700 0.07659700 0.82990300 1.0 O O53 1 0.62137800 0.32750000 0.47277400 1.0 O O54 1 0.80746200 0.59387100 0.02219200 1.0 O O55 1 0.42354700 0.02319400 0.38340700 1.0 O O56 1 0.19253800 0.40612900 0.97780800 1.0 O O57 1 0.57645300 0.97680600 0.61659300 1.0 O O58 1 0.37862200 0.67250000 0.52722600 1.0 O O59 1 0.52282300 0.92340300 0.17009700 1.0 O O60 1 0.52814600 0.57905500 0.29976300 1.0 O O61 1 0.40599200 0.29989200 0.12155500 1.0 O O62 1 0.11584200 0.66989600 0.80769400 1.0 O O63 1 0.32750000 0.62137800 0.97277400 1.0 O O64 1 0.29989200 0.40599200 0.62155500 1.0 O O65 1 0.40612900 0.19253800 0.47780800 1.0 O O66 1 0.19301200 0.09290800 0.83038500 1.0 O O67 1 0.02319400 0.42354700 0.88340700 1.0 O O68 1 0.33010400 0.88415800 0.69230600 1.0 O O69 1 0.16985000 0.88366700 0.42286800 1.0 O O70 1 0.30664100 0.09302000 0.07662600 1.0 O O71 1 0.38291500 0.82998700 0.09346000 1.0 O O72 1 0.42094500 0.47185400 0.20023700 1.0 O O73 1 0.17001300 0.61708500 0.40654000 1.0 O O74 1 0.09302000 0.30664100 0.57662600 1.0 O O75 1 0.07653400 0.02287100 0.59382600 1.0 O O76 1 0.07659700 0.47717700 0.32990300 1.0 O O77 1 0.11633300 0.83015000 0.07713200 1.0 O O78 1 0.02287100 0.07653400 0.09382600 1.0 O O79 1 0.09290800 0.19301200 0.33038500 1.0