# generated using pymatgen data_Li2V5O12 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 9.12142300 _cell_length_b 9.20584400 _cell_length_c 12.66710400 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Li2V5O12 _chemical_formula_sum 'Li8 V20 O48' _cell_volume 1063.66175420 _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 0.27192400 0.22177500 0.18846200 1.0 Li Li1 1 0.77192400 0.77822500 0.18846200 1.0 Li Li2 1 0.77192400 0.27822500 0.31153800 1.0 Li Li3 1 0.27192400 0.72177500 0.31153800 1.0 Li Li4 1 0.72807600 0.27822500 0.68846200 1.0 Li Li5 1 0.22807600 0.72177500 0.68846200 1.0 Li Li6 1 0.22807600 0.22177500 0.81153800 1.0 Li Li7 1 0.72807600 0.77822500 0.81153800 1.0 V V8 1 0.25000000 0.46675800 0.00000000 1.0 V V9 1 0.75000000 0.53324200 0.00000000 1.0 V V10 1 0.96823200 0.25329300 0.12053400 1.0 V V11 1 0.46823100 0.74670700 0.12053400 1.0 V V12 1 0.96823200 0.75329300 0.37946600 1.0 V V13 1 0.46823100 0.24670700 0.37946600 1.0 V V14 1 0.75000000 0.03324200 0.50000000 1.0 V V15 1 0.25000000 0.96675800 0.50000000 1.0 V V16 1 0.03176800 0.24670700 0.62053400 1.0 V V17 1 0.53176800 0.75329300 0.62053400 1.0 V V18 1 0.53176800 0.25329300 0.87946600 1.0 V V19 1 0.03176800 0.74670700 0.87946600 1.0 V V20 1 0.60484800 0.10162200 0.14184600 1.0 V V21 1 0.10484800 0.89837800 0.14184600 1.0 V V22 1 0.10484800 0.39837800 0.35815400 1.0 V V23 1 0.60484800 0.60162200 0.35815400 1.0 V V24 1 0.39515200 0.39837800 0.64184600 1.0 V V25 1 0.89515200 0.60162200 0.64184600 1.0 V V26 1 0.89515200 0.10162200 0.85815400 1.0 V V27 1 0.39515200 0.89837800 0.85815400 1.0 O O28 1 0.55617000 0.15500000 0.01701300 1.0 O O29 1 0.05617000 0.84500000 0.01701300 1.0 O O30 1 0.36910400 0.57572700 0.07204700 1.0 O O31 1 0.86910400 0.42427300 0.07204700 1.0 O O32 1 0.15761000 0.35335000 0.08840100 1.0 O O33 1 0.65761000 0.64665000 0.08840100 1.0 O O34 1 0.10014000 0.08851000 0.15871700 1.0 O O35 1 0.60014000 0.91149000 0.15871700 1.0 O O36 1 0.77926500 0.16431200 0.17277300 1.0 O O37 1 0.27926500 0.83568800 0.17277300 1.0 O O38 1 0.97686700 0.82135400 0.22965300 1.0 O O39 1 0.47686700 0.17864600 0.22965300 1.0 O O40 1 0.97686700 0.32135400 0.27034700 1.0 O O41 1 0.47686700 0.67864600 0.27034700 1.0 O O42 1 0.77926500 0.66431200 0.32722700 1.0 O O43 1 0.27926500 0.33568800 0.32722700 1.0 O O44 1 0.60014000 0.41149000 0.34128300 1.0 O O45 1 0.10014000 0.58851000 0.34128300 1.0 O O46 1 0.65761000 0.14665000 0.41159900 1.0 O O47 1 0.15761000 0.85335000 0.41159900 1.0 O O48 1 0.36910400 0.07572700 0.42795300 1.0 O O49 1 0.86910400 0.92427300 0.42795300 1.0 O O50 1 0.55617000 0.65500000 0.48298700 1.0 O O51 1 0.05617000 0.34500000 0.48298700 1.0 O O52 1 0.44383000 0.34500000 0.51701300 1.0 O O53 1 0.94383000 0.65500000 0.51701300 1.0 O O54 1 0.13089600 0.07572700 0.57204700 1.0 O O55 1 0.63089600 0.92427300 0.57204700 1.0 O O56 1 0.84239000 0.14665000 0.58840100 1.0 O O57 1 0.34239000 0.85335000 0.58840100 1.0 O O58 1 0.89986000 0.41149000 0.65871700 1.0 O O59 1 0.39986000 0.58851000 0.65871700 1.0 O O60 1 0.22073500 0.33568800 0.67277300 1.0 O O61 1 0.72073500 0.66431200 0.67277300 1.0 O O62 1 0.52313300 0.32135400 0.72965300 1.0 O O63 1 0.02313300 0.67864600 0.72965300 1.0 O O64 1 0.02313300 0.17864600 0.77034700 1.0 O O65 1 0.52313300 0.82135400 0.77034700 1.0 O O66 1 0.72073500 0.16431200 0.82722700 1.0 O O67 1 0.22073500 0.83568800 0.82722700 1.0 O O68 1 0.39986000 0.08851000 0.84128300 1.0 O O69 1 0.89986000 0.91149000 0.84128300 1.0 O O70 1 0.34239000 0.35335000 0.91159900 1.0 O O71 1 0.84239000 0.64665000 0.91159900 1.0 O O72 1 0.63089600 0.42427300 0.92795300 1.0 O O73 1 0.13089600 0.57572700 0.92795300 1.0 O O74 1 0.94383000 0.15500000 0.98298700 1.0 O O75 1 0.44383000 0.84500000 0.98298700 1.0