# generated using pymatgen data_Li3V12O29 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 14.34635261 _cell_length_b 14.34635261 _cell_length_c 10.38060531 _cell_angle_alpha 76.17347999 _cell_angle_beta 76.17347999 _cell_angle_gamma 14.80807039 _symmetry_Int_Tables_number 1 _chemical_formula_structural Li3V12O29 _chemical_formula_sum 'Li3 V12 O29' _cell_volume 529.96046382 _cell_formula_units_Z 1 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 0.00727200 0.00727200 0.67508800 1.0 Li Li1 1 0.73310900 0.73310900 0.51870800 1.0 Li Li2 1 0.99352300 0.99352300 0.32603900 1.0 V V3 1 0.06358500 0.06358500 0.92115300 1.0 V V4 1 0.14684100 0.14684100 0.66164600 1.0 V V5 1 0.17722600 0.17722600 0.98371800 1.0 V V6 1 0.30254700 0.30254700 0.79521200 1.0 V V7 1 0.39104700 0.39104700 0.53293200 1.0 V V8 1 0.41537900 0.41537900 0.85592500 1.0 V V9 1 0.58475200 0.58475200 0.14368300 1.0 V V10 1 0.60903100 0.60903100 0.46659600 1.0 V V11 1 0.69613700 0.69613700 0.21069000 1.0 V V12 1 0.82327700 0.82327700 0.02107900 1.0 V V13 1 0.85339300 0.85339300 0.34025300 1.0 V V14 1 0.93590000 0.93590000 0.07947600 1.0 O O15 1 0.09894000 0.09894000 0.08522800 1.0 O O16 1 0.06275400 0.06275400 0.75952600 1.0 O O17 1 0.12276800 0.12276800 0.49310500 1.0 O O18 1 0.14109300 0.14109300 0.83752600 1.0 O O19 1 0.19287700 0.19287700 0.15868900 1.0 O O20 1 0.20639000 0.20639000 0.60177000 1.0 O O21 1 0.23604500 0.23604500 0.88042000 1.0 O O22 1 0.29952500 0.29952500 0.63942300 1.0 O O23 1 0.36823700 0.36823700 0.36525400 1.0 O O24 1 0.33537700 0.33537700 0.96451300 1.0 O O25 1 0.37746400 0.37746400 0.71347600 1.0 O O26 1 0.43111700 0.43111700 0.03717500 1.0 O O27 1 0.45026200 0.45026200 0.48547300 1.0 O O28 1 0.47034100 0.47034100 0.74980800 1.0 O O29 1 0.52977100 0.52977100 0.24975000 1.0 O O30 1 0.00045200 0.00045200 0.99784000 1.0 O O31 1 0.54976300 0.54976300 0.51615700 1.0 O O32 1 0.56996400 0.56996400 0.96234000 1.0 O O33 1 0.62098100 0.62098100 0.28802000 1.0 O O34 1 0.66491200 0.66491200 0.03509200 1.0 O O35 1 0.63386900 0.63386900 0.63511800 1.0 O O36 1 0.69964500 0.69964500 0.36869600 1.0 O O37 1 0.76579700 0.76579700 0.11954900 1.0 O O38 1 0.79479900 0.79479900 0.39426400 1.0 O O39 1 0.80711400 0.80711400 0.83810200 1.0 O O40 1 0.86061100 0.86061100 0.16224600 1.0 O O41 1 0.87676300 0.87676300 0.50983800 1.0 O O42 1 0.93896100 0.93896100 0.23876400 1.0 O O43 1 0.90157700 0.90157700 0.91393600 1.0