# generated using pymatgen data_Li3V3(BO5)2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 2.99295900 _cell_length_b 9.43392800 _cell_length_c 12.06467414 _cell_angle_alpha 89.15432438 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Li3V3(BO5)2 _chemical_formula_sum 'Li6 V6 B4 O20' _cell_volume 340.61330895 _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 0.50000000 0.99201600 0.99688400 1.0 Li Li1 1 0.50000000 0.00155900 0.72415500 1.0 Li Li2 1 0.50000000 0.50019800 0.50350700 1.0 Li Li3 1 0.00000000 0.49434600 0.98737300 1.0 Li Li4 1 0.50000000 0.49515400 0.78922100 1.0 Li Li5 1 0.50000000 0.99986100 0.27819000 1.0 V V6 1 0.00000000 0.00437100 0.50100700 1.0 V V7 1 0.00000000 0.75613100 0.88618800 1.0 V V8 1 0.00000000 0.73754900 0.38803600 1.0 V V9 1 0.50000000 0.49563200 0.21322800 1.0 V V10 1 0.00000000 0.26446700 0.61996200 1.0 V V11 1 0.00000000 0.22926900 0.10217200 1.0 B B12 1 0.00000000 0.76868500 0.14126900 1.0 B B13 1 0.00000000 0.73638800 0.63825600 1.0 B B14 1 0.00000000 0.27126500 0.36736800 1.0 B B15 1 0.00000000 0.23738400 0.85814200 1.0 O O16 1 0.50000000 0.87776600 0.85451300 1.0 O O17 1 0.50000000 0.87963400 0.42977500 1.0 O O18 1 0.00000000 0.88270800 0.63455800 1.0 O O19 1 0.00000000 0.83822300 0.24208700 1.0 O O20 1 0.00000000 0.84124400 0.04295700 1.0 O O21 1 0.00000000 0.65893900 0.53872700 1.0 O O22 1 0.00000000 0.66474500 0.73819900 1.0 O O23 1 0.00000000 0.61732900 0.14589900 1.0 O O24 1 0.50000000 0.63238400 0.92686100 1.0 O O25 1 0.50000000 0.61453300 0.34846900 1.0 O O26 1 0.50000000 0.37540400 0.64657800 1.0 O O27 1 0.50000000 0.37455100 0.08000600 1.0 O O28 1 0.00000000 0.37908300 0.85799000 1.0 O O29 1 0.00000000 0.34898200 0.26381700 1.0 O O30 1 0.00000000 0.34907200 0.46208800 1.0 O O31 1 0.00000000 0.15316500 0.95747000 1.0 O O32 1 0.00000000 0.15919400 0.75959500 1.0 O O33 1 0.00000000 0.12616600 0.36277300 1.0 O O34 1 0.50000000 0.12255800 0.56931400 1.0 O O35 1 0.50000000 0.12004300 0.14336400 1.0