# generated using pymatgen data_Ta2VO6 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.77993237 _cell_length_b 10.29405168 _cell_length_c 9.56003004 _cell_angle_alpha 62.31616649 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ta2VO6 _chemical_formula_sum 'Ta8 V4 O24' _cell_volume 416.55088056 _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 Ta Ta0 1 0.50004559 0.83032466 0.83482358 1.0 Ta Ta1 1 0.50004559 0.83032466 0.33482358 1.0 Ta Ta2 1 0.99995441 0.33032466 0.33482358 1.0 Ta Ta3 1 0.99995441 0.33032466 0.83482358 1.0 Ta Ta4 1 0.49995441 0.16967534 0.16517642 1.0 Ta Ta5 1 0.49995441 0.16967534 0.66517642 1.0 Ta Ta6 1 0.00004559 0.66967534 0.16517642 1.0 Ta Ta7 1 0.00004559 0.66967534 0.66517642 1.0 V V8 1 -0.00000000 0.00000000 0.50000000 1.0 V V9 1 0.50000000 0.50000000 0.00000000 1.0 V V10 1 -0.00000000 0.00000000 0.00000000 1.0 V V11 1 0.50000000 0.50000000 0.50000000 1.0 O O12 1 0.31136571 0.99992201 0.34438728 1.0 O O13 1 0.31136571 0.99992201 0.84438728 1.0 O O14 1 0.18863429 0.49992201 0.84438728 1.0 O O15 1 0.18863429 0.49992201 0.34438728 1.0 O O16 1 0.81136571 0.50007799 0.15561272 1.0 O O17 1 0.81136571 0.50007799 0.65561272 1.0 O O18 1 0.68863429 0.00007799 0.15561272 1.0 O O19 1 0.68863429 0.00007799 0.65561272 1.0 O O20 1 0.70434289 0.67475080 0.81058671 1.0 O O21 1 0.70434289 0.67475080 0.31058671 1.0 O O22 1 0.29593795 0.67474779 0.01472702 1.0 O O23 1 0.29593795 0.67474779 0.51472702 1.0 O O24 1 0.70406205 0.32525221 0.98527298 1.0 O O25 1 0.70406205 0.32525221 0.48527298 1.0 O O26 1 0.20406205 0.17474779 0.01472702 1.0 O O27 1 0.20406205 0.17474779 0.51472702 1.0 O O28 1 0.79565711 0.17475080 0.31058671 1.0 O O29 1 0.79565711 0.17475080 0.81058671 1.0 O O30 1 0.79593795 0.82525221 0.98527298 1.0 O O31 1 0.79593795 0.82525221 0.48527298 1.0 O O32 1 0.29565711 0.32524920 0.18941329 1.0 O O33 1 0.29565711 0.32524920 0.68941329 1.0 O O34 1 0.20434289 0.82524920 0.68941329 1.0 O O35 1 0.20434289 0.82524920 0.18941329 1.0