# generated using pymatgen data_Li3NbV2O6 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 2.94809323 _cell_length_b 10.27315254 _cell_length_c 7.98952464 _cell_angle_alpha 87.41574259 _cell_angle_beta 100.63216814 _cell_angle_gamma 81.74782452 _symmetry_Int_Tables_number 1 _chemical_formula_structural Li3NbV2O6 _chemical_formula_sum 'Li6 Nb2 V4 O12' _cell_volume 234.71782961 _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 0.41666700 0.24999900 0.08333200 1.0 Li Li1 1 0.91667100 0.75000200 0.58334100 1.0 Li Li2 1 0.25902200 0.73729500 0.25545800 1.0 Li Li3 1 0.75900200 0.23733100 0.75545700 1.0 Li Li4 1 0.07433200 0.26267500 0.41121300 1.0 Li Li5 1 0.57431800 0.76269700 0.91120800 1.0 Nb Nb6 1 0.66658900 0.00005600 0.33327500 1.0 Nb Nb7 1 0.16671400 0.49994900 0.83338700 1.0 V V8 1 0.49579800 0.50360600 0.49525400 1.0 V V9 1 0.33754300 0.99639300 0.67141400 1.0 V V10 1 0.99574800 0.00369000 0.99524100 1.0 V V11 1 0.83759200 0.49630200 0.17143000 1.0 O O12 1 0.62373700 0.88446000 0.13198300 1.0 O O13 1 0.12371900 0.38451300 0.63201600 1.0 O O14 1 0.20959600 0.61554100 0.03468100 1.0 O O15 1 0.70961300 0.11548900 0.53464700 1.0 O O16 1 0.45574700 0.38055900 0.29192500 1.0 O O17 1 0.95574900 0.88056200 0.79192700 1.0 O O18 1 0.87758700 0.61943800 0.37473600 1.0 O O19 1 0.37758900 0.11943900 0.87474200 1.0 O O20 1 0.29125000 0.87486900 0.45733600 1.0 O O21 1 0.79122600 0.37488300 0.95733300 1.0 O O22 1 0.04210700 0.12511500 0.20933100 1.0 O O23 1 0.54208600 0.62513000 0.70933200 1.0